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

C15H23N3O2 — CID 114586522

IUPAC4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1CCCCC1COc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H23N3O2/c16-8-11-3-1-2-4-12(11)9-20-14-7-13(19)17-15(18-14)10-5-6-10/h7,10-12H,1-6,8-9,16H2,(H,17,18,19)
InChIKeyBTMXKCHCPVSRMI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.79
Rot. Bonds5

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

4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586522) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586522
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1CCCCC1COc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H23N3O2/c16-8-11-3-1-2-4-12(11)9-20-14-7-13(19)17-15(18-14)10-5-6-10/h7,10-12H,1-6,8-9,16H2,(H,17,18,19)
InChIKeyBTMXKCHCPVSRMI-UHFFFAOYSA-N
XLogP1.79
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586525
4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586583
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240480
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
CID 114586518
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
CID 66332275
[2-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
CID 66331092
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 103568254
4-[2-(aminomethyl)-4-bromophenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114585999
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586522) is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is NCC1CCCCC1COc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is BTMXKCHCPVSRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-8-11-3-1-2-4-12(11)9-20-14-7-13(19)17-15(18-14)10-5-6-10/h7,10-12H,1-6,8-9,16H2,(H,17,18,19).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).