4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one

C11H18N4O — CID 135815600

IUPAC4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(NC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7-13-10(12)9(11(16)14-7)15-8-5-3-2-4-6-8/h8,15H,2-6H2,1H3,(H3,12,13,14,16)
InChIKeyMSMUYJXTUJHZIQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.41
Rot. Bonds2

About 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one

4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135815600) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID135815600
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(NC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7-13-10(12)9(11(16)14-7)15-8-5-3-2-4-6-8/h8,15H,2-6H2,1H3,(H3,12,13,14,16)
InChIKeyMSMUYJXTUJHZIQ-UHFFFAOYSA-N
XLogP1.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234014
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-diamino-2-hexyl-1H-pyrimidin-6-one
CID 136462560
(6R,7S)-2-amino-6,7-diethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 141827576
7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione
CID 45118792
N-cyclohexyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341828
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 114581783
6-Amino-5-[(cyclohexylamino)methyl]-2-methylpyrimidin-4-ol
CID 135510891
4-amino-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 136077566
2,6-Dimethyl-5,6,7,8-tetrahydropteridin-4(1H)-one
CID 136272511
N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136659776
4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136792794

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one (CID 135815600) is 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(NC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MSMUYJXTUJHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-13-10(12)9(11(16)14-7)15-8-5-3-2-4-6-8/h8,15H,2-6H2,1H3,(H3,12,13,14,16).
What are the key properties of 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135815600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).