4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 114586472

IUPAC4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2(N)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-16-11(18)8-12(17-13)19-9-14(15)6-4-3-5-7-14/h8,10H,3-7,9,15H2,1-2H3,(H,16,17,18)
InChIKeyRBBSFXHKNNYSNW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.93
Rot. Bonds4

About 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586472) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586472
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2(N)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-16-11(18)8-12(17-13)19-9-14(15)6-4-3-5-7-14/h8,10H,3-7,9,15H2,1-2H3,(H,16,17,18)
InChIKeyRBBSFXHKNNYSNW-UHFFFAOYSA-N
XLogP1.93
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclohexyl)-4-methoxy-1H-pyrimidin-6-one
CID 84062776
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240630
2-methyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240633
4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240636
2-cyclopropyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240641
4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 103240646
2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240647

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586472) is 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCC2(N)CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RBBSFXHKNNYSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)13-16-11(18)8-12(17-13)19-9-14(15)6-4-3-5-7-14/h8,10H,3-7,9,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).