4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C17H24N4O — CID 171911903

IUPAC4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc(N[C@@H]2C[C@@H]3CC[C@H]2C3)c2c(n1)C(=O)NCC2
InChIInChI=1S/C17H24N4O/c1-9(2)15-20-14-12(5-6-18-17(14)22)16(21-15)19-13-8-10-3-4-11(13)7-10/h9-11,13H,3-8H2,1-2H3,(H,18,22)(H,19,20,21)/t10-,11+,13-/m1/s1
InChIKeyZEQFODPTSSNZGS-NTZNESFSSA-N
MW300.41 g/mol
LogP2.49
Rot. Bonds3

About 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171911903) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171911903
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc(N[C@@H]2C[C@@H]3CC[C@H]2C3)c2c(n1)C(=O)NCC2
InChIInChI=1S/C17H24N4O/c1-9(2)15-20-14-12(5-6-18-17(14)22)16(21-15)19-13-8-10-3-4-11(13)7-10/h9-11,13H,3-8H2,1-2H3,(H,18,22)(H,19,20,21)/t10-,11+,13-/m1/s1
InChIKeyZEQFODPTSSNZGS-NTZNESFSSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

2-propan-2-yl-4-(pyridin-4-ylmethylamino)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387910
(1R,2S,8R,9S)-8-[[(8-oxo-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171389549
2-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-2-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389200
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 80951871
2-propan-2-yl-4-(4-pyridin-4-yloxypiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385987
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 63447273
4-[[(2S)-2-aminopropyl]amino]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387795
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237
4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
CID 136975932
N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79504363
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 58168761

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171911903) is 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC(C)c1nc(N[C@@H]2C[C@@H]3CC[C@H]2C3)c2c(n1)C(=O)NCC2.
What is the InChIKey of 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is ZEQFODPTSSNZGS-NTZNESFSSA-N. The full InChI is InChI=1S/C17H24N4O/c1-9(2)15-20-14-12(5-6-18-17(14)22)16(21-15)19-13-8-10-3-4-11(13)7-10/h9-11,13H,3-8H2,1-2H3,(H,18,22)(H,19,20,21)/t10-,11+,13-/m1/s1.
What are the key properties of 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 300.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171911903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).