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

C12H20N4O2 — CID 136989440

IUPAC5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(Nc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C12H20N4O2/c1-13-8-3-5-9(6-4-8)16-11-10(18-2)12(17)15-7-14-11/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyLORCUOKWMRJIBX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.72
Rot. Bonds4

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

5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136989440) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136989440
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(Nc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C12H20N4O2/c1-13-8-3-5-9(6-4-8)16-11-10(18-2)12(17)15-7-14-11/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyLORCUOKWMRJIBX-UHFFFAOYSA-N
XLogP0.72
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977554
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978862

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136989440) is 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CNC1CCC(Nc2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is LORCUOKWMRJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-13-8-3-5-9(6-4-8)16-11-10(18-2)12(17)15-7-14-11/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).