2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C17H22N4O2 — CID 137269550

IUPAC2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOC1CCC(Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)C1
InChIInChI=1S/C17H22N4O2/c1-10-11(2)19-16(21-17(10)22)12-4-7-15(18-9-12)20-13-5-6-14(8-13)23-3/h4,7,9,13-14H,5-6,8H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyJPCYGQRJAQVZIW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds4

About 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137269550) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137269550
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOC1CCC(Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)C1
InChIInChI=1S/C17H22N4O2/c1-10-11(2)19-16(21-17(10)22)12-4-7-15(18-9-12)20-13-5-6-14(8-13)23-3/h4,7,9,13-14H,5-6,8H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyJPCYGQRJAQVZIW-UHFFFAOYSA-N
XLogP2.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137248401
4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268740
2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268094
5-bromo-N-(3-methoxycyclopentyl)pyridin-2-amine
CID 103081976
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137061342
2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275234
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137269550) is 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is COC1CCC(Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)C1.
What is the InChIKey of 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is JPCYGQRJAQVZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-11(2)19-16(21-17(10)22)12-4-7-15(18-9-12)20-13-5-6-14(8-13)23-3/h4,7,9,13-14H,5-6,8H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137269550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).