8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine

C28H35FN8 — CID 138678620

IUPAC8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2[C@@H]3CC[C@H]2CN(c2cc(C)ncn2)C3)nc2c1C(C)(C)CCN2c1ccc(F)cc1
InChIInChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(H2,30,33,34,35)/t18-,19+,24?
InChIKeyQFTDIWBBGLTDFH-QRQCMCJISA-N
MW502.64 g/mol
LogP4.90
Rot. Bonds5

About 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine

8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 138678620) has the molecular formula C28H35FN8 and a molecular weight of 502.64 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID138678620
Molecular FormulaC28H35FN8
Molecular Weight502.64 g/mol
Exact Mass502.30
IUPAC Name8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2[C@@H]3CC[C@H]2CN(c2cc(C)ncn2)C3)nc2c1C(C)(C)CCN2c1ccc(F)cc1
InChIInChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(H2,30,33,34,35)/t18-,19+,24?
InChIKeyQFTDIWBBGLTDFH-QRQCMCJISA-N
XLogP4.90
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.64
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709267
7-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 138678573
4-N-[2-(dimethylamino)ethyl]-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-(4-fluorophenyl)-4-N-methylpyrido[3,4-d]pyrimidine-2,4,6-triamine
CID 145978055
2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24784433
2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24784434
N-[1-(3-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033010
6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033087
6-(5-methyl-2-pyridinyl)-N-(1-pyridin-4-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033088
6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033090
N-[1-(2-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033091
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033097
N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033178

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine (CID 138678620) is 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC2[C@@H]3CC[C@H]2CN(c2cc(C)ncn2)C3)nc2c1C(C)(C)CCN2c1ccc(F)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QFTDIWBBGLTDFH-QRQCMCJISA-N. The full InChI is InChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(H2,30,33,34,35)/t18-,19+,24?.
What are the key properties of 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?
8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 502.64 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-4-N,5,5-trimethyl-2-N-[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 138678620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).