2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C20H24N4O2 — CID 171912395

IUPAC2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc(N[C@@H]2CCC[C@H]2OCc2ccccc2)c2c(n1)C(=O)NCC2
InChIInChI=1S/C20H24N4O2/c1-13-22-18-15(10-11-21-20(18)25)19(23-13)24-16-8-5-9-17(16)26-12-14-6-3-2-4-7-14/h2-4,6-7,16-17H,5,8-12H2,1H3,(H,21,25)(H,22,23,24)/t16-,17-/m1/s1
InChIKeyURIQQXJFWAXZLQ-IAGOWNOFSA-N
MW352.44 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171912395) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171912395
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc(N[C@@H]2CCC[C@H]2OCc2ccccc2)c2c(n1)C(=O)NCC2
InChIInChI=1S/C20H24N4O2/c1-13-22-18-15(10-11-21-20(18)25)19(23-13)24-16-8-5-9-17(16)26-12-14-6-3-2-4-7-14/h2-4,6-7,16-17H,5,8-12H2,1H3,(H,21,25)(H,22,23,24)/t16-,17-/m1/s1
InChIKeyURIQQXJFWAXZLQ-IAGOWNOFSA-N
XLogP2.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171912395) is 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is Cc1nc(N[C@@H]2CCC[C@H]2OCc2ccccc2)c2c(n1)C(=O)NCC2.
What is the InChIKey of 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is URIQQXJFWAXZLQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-22-18-15(10-11-21-20(18)25)19(23-13)24-16-8-5-9-17(16)26-12-14-6-3-2-4-7-14/h2-4,6-7,16-17H,5,8-12H2,1H3,(H,21,25)(H,22,23,24)/t16-,17-/m1/s1.
What are the key properties of 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 352.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171912395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).