4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one

C12H20N4O — CID 136672019

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(CN)C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-14-11(6-12(17)15-8)16-10(7-13)9-4-2-3-5-9/h6,9-10H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyRSNKBRBFACDCCC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.01
Rot. Bonds4

About 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136672019) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136672019
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(CN)C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-14-11(6-12(17)15-8)16-10(7-13)9-4-2-3-5-9/h6,9-10H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyRSNKBRBFACDCCC-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
3-[2-(Cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793489
3-[2-[2-(Ethylamino)cyclopentyl]ethyl]-2,6-dimethylpyrimidin-4-one
CID 79573462
2,6-Dimethyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]pyrimidin-4-one
CID 79573712
3-(2-Amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one
CID 104747701
3-[2-Cyclopentyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747705
3-[2-Cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747708
3-[2-Cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 113448462
2-cyclopentyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978194
2-cyclopentyl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095276
2-cyclohexyl-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095504
2-cyclopentyl-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095507

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136672019) is 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(CN)C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RSNKBRBFACDCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-14-11(6-12(17)15-8)16-10(7-13)9-4-2-3-5-9/h6,9-10H,2-5,7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136672019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).