5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C12H20N4O — CID 136794531

IUPAC5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CCCCC1
InChIInChI=1S/C12H20N4O/c1-12(5-3-2-4-6-12)7-14-10-9(13)11(17)16-8-15-10/h8H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeySQKKTBFRSSSKOK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136794531) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136794531
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CCCCC1
InChIInChI=1S/C12H20N4O/c1-12(5-3-2-4-6-12)7-14-10-9(13)11(17)16-8-15-10/h8H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeySQKKTBFRSSSKOK-UHFFFAOYSA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one
CID 135568291
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
4-(1-adamantylmethylamino)-5-amino-1H-pyrimidin-6-one
CID 136322616
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786653
5-chloro-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794534
5-iodo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794535
4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794537
5-bromo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794538

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136794531) is 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2N)CCCCC1.
What is the InChIKey of 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is SQKKTBFRSSSKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(5-3-2-4-6-12)7-14-10-9(13)11(17)16-8-15-10/h8H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).