2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

C15H24N4O — CID 136958282

IUPAC2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H24N4O/c1-16-11-5-7-12(8-6-11)19(2)13-9-14(20)18-15(17-13)10-3-4-10/h9-12,16H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyZGRHQUUIYYJUNL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.61
Rot. Bonds4

About 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136958282) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136958282
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H24N4O/c1-16-11-5-7-12(8-6-11)19(2)13-9-14(20)18-15(17-13)10-3-4-10/h9-12,16H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyZGRHQUUIYYJUNL-UHFFFAOYSA-N
XLogP1.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
4-(dimethylamino)-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136345066
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850
2-cyclopropyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701821
4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136704107
4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136704108
4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704109
2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726431
2-cyclopropyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730578

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136958282) is 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CNC1CCC(N(C)c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is ZGRHQUUIYYJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-16-11-5-7-12(8-6-11)19(2)13-9-14(20)18-15(17-13)10-3-4-10/h9-12,16H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).