N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine

C15H23N3O — CID 116778544

IUPACN-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOC1(c2nccc(CNC3CC3)n2)CCCCC1
InChIInChI=1S/C15H23N3O/c1-19-15(8-3-2-4-9-15)14-16-10-7-13(18-14)11-17-12-5-6-12/h7,10,12,17H,2-6,8-9,11H2,1H3
InChIKeyFACJCPCOUPCPMN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds5

About N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 116778544) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID116778544
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOC1(c2nccc(CNC3CC3)n2)CCCCC1
InChIInChI=1S/C15H23N3O/c1-19-15(8-3-2-4-9-15)14-16-10-7-13(18-14)11-17-12-5-6-12/h7,10,12,17H,2-6,8-9,11H2,1H3
InChIKeyFACJCPCOUPCPMN-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 116778544) is N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine is COC1(c2nccc(CNC3CC3)n2)CCCCC1.
What is the InChIKey of N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is FACJCPCOUPCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-15(8-3-2-4-9-15)14-16-10-7-13(18-14)11-17-12-5-6-12/h7,10,12,17H,2-6,8-9,11H2,1H3.
What are the key properties of N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116778544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).