4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one

C12H20N4O — CID 136807848

IUPAC4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C2CCCCC2N)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-14-11(7-12(17)15-8)16(2)10-6-4-3-5-9(10)13/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyFCTOVXCTKFPMDA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds2

About 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136807848) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136807848
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C2CCCCC2N)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-14-11(7-12(17)15-8)16(2)10-6-4-3-5-9(10)13/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyFCTOVXCTKFPMDA-UHFFFAOYSA-N
XLogP0.78
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
5-Amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234014
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
3-[2-(Cyclohexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793846
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 101582824
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 114581783
4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
CID 135815600
4-amino-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 136077565
4-amino-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 136077645
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136807848) is 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)C2CCCCC2N)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FCTOVXCTKFPMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-14-11(7-12(17)15-8)16(2)10-6-4-3-5-9(10)13/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136807848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).