4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile

C18H20N4O2 — CID 135994997

IUPAC4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOc1ccccc1Cc1nc(NC2CCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H20N4O2/c1-24-15-9-5-2-6-12(15)10-16-21-17(14(11-19)18(23)22-16)20-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10H2,1H3,(H2,20,21,22,23)
InChIKeyRTPXCRBITLMKGK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.60
Rot. Bonds5

About 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile

4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135994997) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135994997
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOc1ccccc1Cc1nc(NC2CCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H20N4O2/c1-24-15-9-5-2-6-12(15)10-16-21-17(14(11-19)18(23)22-16)20-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10H2,1H3,(H2,20,21,22,23)
InChIKeyRTPXCRBITLMKGK-UHFFFAOYSA-N
XLogP2.60
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
4-(cycloheptylamino)-2-[(2-fluorophenyl)methyl]-5-methanimidoyl-1H-pyrimidin-6-one
CID 142863709
4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70494743
3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721203
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
2-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 135575576
2-[(2-methylphenyl)methyl]-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 135995133
2-[[2-(6-methoxy-3-pyridinyl)phenyl]methyl]-6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 135995124
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
CID 96602601
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135994997) is 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile is COc1ccccc1Cc1nc(NC2CCCC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is RTPXCRBITLMKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-9-5-2-6-12(15)10-16-21-17(14(11-19)18(23)22-16)20-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135994997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).