5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine

C22H27N7O2 — CID 25262477

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N)nc3)nc2n1
InChIInChI=1S/C22H27N7O2/c1-14-12-30-9-7-28(14)21-17-4-5-18(16-3-6-19(23)24-11-16)25-20(17)26-22(27-21)29-8-10-31-13-15(29)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,23,24)/t14-,15-/m0/s1
InChIKeyHGFHLLYMDRBZPO-GJZGRUSLSA-N
MW421.51 g/mol
LogP2.12
Rot. Bonds3

About 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine (PubChem CID 25262477) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine
PubChem CID25262477
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N)nc3)nc2n1
InChIInChI=1S/C22H27N7O2/c1-14-12-30-9-7-28(14)21-17-4-5-18(16-3-6-19(23)24-11-16)25-20(17)26-22(27-21)29-8-10-31-13-15(29)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,23,24)/t14-,15-/m0/s1
InChIKeyHGFHLLYMDRBZPO-GJZGRUSLSA-N
XLogP2.12
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine with MolForge

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Related Compounds

Buparlisib
CID 16654980
Abt-702
CID 1973
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Pyrazolo pyrimidine, 5k
CID 25196900
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine (CID 25262477) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N)nc3)nc2n1.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine?
The InChIKey is HGFHLLYMDRBZPO-GJZGRUSLSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-12-30-9-7-28(14)21-17-4-5-18(16-3-6-19(23)24-11-16)25-20(17)26-22(27-21)29-8-10-31-13-15(29)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,23,24)/t14-,15-/m0/s1.
What are the key properties of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine has a molecular weight of 421.51 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridin-2-amine is sourced from PubChem (CID 25262477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).