About [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine
[4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine (PubChem CID 159680268) has the molecular formula C122H125N29O10
and a molecular weight of 2157.53 g/mol. Its IUPAC name is [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine.
Frequently Asked Questions
What is the IUPAC name of [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?
The IUPAC name of [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine (CID 159680268) is [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine is C[C@H]1COCCN1c1nc(-c2ccc(Nc3nccc(=O)[nH]3)cc2)nc2c1CCN(C(=O)c1cccnc1)C2.C[C@H]1COCCN1c1nc(-c2ccc(Nc3nccc(OCc4ccccc4)n3)cc2)nc2c1CCCC2.C[C@H]1COCCN1c1nc(-c2ccc(Nc3nccc(OCc4ccccc4)n3)cc2)nc2c1CCN(C(=O)c1cccnc1)C2.C[C@H]1COCCN1c1nc(-c2ccc(Nc3nccc(OCc4ccccc4)n3)cc2)nc2c1CCNC2.
What is the InChIKey of [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?
The InChIKey is MVCWFKWDUIMGET-RRCUUMFJSA-N. The full InChI is InChI=1S/C35H34N8O3.C30H32N6O2.C29H31N7O2.C28H28N8O3/c1-24-22-45-19-18-43(24)33-29-14-17-42(34(44)27-8-5-15-36-20-27)21-30(29)39-32(41-33)26-9-11-28(12-10-26)38-35-37-16-13-31(40-35)46-23-25-6-3-2-4-7-25;1-21-19-37-18-17-36(21)29-25-9-5-6-10-26(25)33-28(35-29)23-11-13-24(14-12-23)32-30-31-16-15-27(34-30)38-20-22-7-3-2-4-8-22;1-20-18-37-16-15-36(20)28-24-11-13-30-17-25(24)33-27(35-28)22-7-9-23(10-8-22)32-29-31-14-12-26(34-29)38-19-21-5-3-2-4-6-21;1-18-17-39-14-13-36(18)26-22-9-12-35(27(38)20-3-2-10-29-15-20)16-23(22)32-25(34-26)19-4-6-21(7-5-19)31-28-30-11-8-24(37)33-28/h2-13,15-16,20,24H,14,17-19,21-23H2,1H3,(H,37,38,40);2-4,7-8,11-16,21H,5-6,9-10,17-20H2,1H3,(H,31,32,34);2-10,12,14,20,30H,11,13,15-19H2,1H3,(H,31,32,34);2-8,10-11,15,18H,9,12-14,16-17H2,1H3,(H2,30,31,33,37)/t24-;21-;20-;18-/m0000/s1.
What are the key properties of [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?
[4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine has a molecular weight of 2157.53 g/mol, XLogP of 17.35, 27 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(4-phenylmethoxypyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;2-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(pyridine-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyrimidin-6-one;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 159680268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).