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

C15H23N3O2 — CID 136976197

IUPAC2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCCCC2CO)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O2/c19-9-12-4-2-1-3-11(12)8-16-13-7-14(20)18-15(17-13)10-5-6-10/h7,10-12,19H,1-6,8-9H2,(H2,16,17,18,20)
InChIKeyUXOSRRSBZAMGBW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.86
Rot. Bonds5

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

2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136976197) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136976197
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCCCC2CO)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O2/c19-9-12-4-2-1-3-11(12)8-16-13-7-14(20)18-15(17-13)10-5-6-10/h7,10-12,19H,1-6,8-9H2,(H2,16,17,18,20)
InChIKeyUXOSRRSBZAMGBW-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173263
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586522
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746829
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746830
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746836
2-ethyl-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823128
4-[(3-hydroxycyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136823129

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one (CID 136976197) is 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2CCCCC2CO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is UXOSRRSBZAMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-9-12-4-2-1-3-11(12)8-16-13-7-14(20)18-15(17-13)10-5-6-10/h7,10-12,19H,1-6,8-9H2,(H2,16,17,18,20).
What are the key properties of 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).