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

C14H21N3O2 — CID 114586471

IUPAC4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCCC1
InChIInChI=1S/C14H21N3O2/c15-14(6-2-1-3-7-14)9-19-12-8-11(18)16-13(17-12)10-4-5-10/h8,10H,1-7,9,15H2,(H,16,17,18)
InChIKeyDXCIMRDEDYTQMF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.69
Rot. Bonds4

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

4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586471) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586471
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCCC1
InChIInChI=1S/C14H21N3O2/c15-14(6-2-1-3-7-14)9-19-12-8-11(18)16-13(17-12)10-4-5-10/h8,10H,1-7,9,15H2,(H,16,17,18)
InChIKeyDXCIMRDEDYTQMF-UHFFFAOYSA-N
XLogP1.69
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-octoxy-1H-pyrimidin-6-one
CID 103240502
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240532
2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240630
2-cyclopropyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240641
2-cyclopropyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240652
2-ethyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240657
4-(cyclohexylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241607
4-(cyclohexylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241608

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586471) is 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is NC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCCC1.
What is the InChIKey of 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is DXCIMRDEDYTQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(6-2-1-3-7-14)9-19-12-8-11(18)16-13(17-12)10-4-5-10/h8,10H,1-7,9,15H2,(H,16,17,18).
What are the key properties of 4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.69, 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-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).