5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C12H20N4O — CID 136786653

IUPAC5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(CNc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N4O/c1-8-3-2-4-9(5-8)6-14-11-10(13)12(17)16-7-15-11/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyAELQDLSKPFQHGO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.59
Rot. Bonds3

About 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136786653) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136786653
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(CNc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N4O/c1-8-3-2-4-9(5-8)6-14-11-10(13)12(17)16-7-15-11/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyAELQDLSKPFQHGO-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135474227
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one
CID 135568306
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
4-(1-adamantylmethylamino)-5-amino-1H-pyrimidin-6-one
CID 136322616
4-(2-adamantylmethylamino)-5-amino-1H-pyrimidin-6-one
CID 136322617
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136786653) is 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1CCCC(CNc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AELQDLSKPFQHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-3-2-4-9(5-8)6-14-11-10(13)12(17)16-7-15-11/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).