N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

C15H23N3O — CID 104611857

IUPACN-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOC1(c2nc(C)cc(CNC3CC3)n2)CCCC1
InChIInChI=1S/C15H23N3O/c1-11-9-13(10-16-12-5-6-12)18-14(17-11)15(19-2)7-3-4-8-15/h9,12,16H,3-8,10H2,1-2H3
InChIKeyJMRIULXUPIEUHZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.45
Rot. Bonds5

About N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 104611857) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID104611857
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOC1(c2nc(C)cc(CNC3CC3)n2)CCCC1
InChIInChI=1S/C15H23N3O/c1-11-9-13(10-16-12-5-6-12)18-14(17-11)15(19-2)7-3-4-8-15/h9,12,16H,3-8,10H2,1-2H3
InChIKeyJMRIULXUPIEUHZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 116778602
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 116779189
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[[6-methyl-2-(2-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221207
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221355

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 104611857) is N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is COC1(c2nc(C)cc(CNC3CC3)n2)CCCC1.
What is the InChIKey of N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is JMRIULXUPIEUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-13(10-16-12-5-6-12)18-14(17-11)15(19-2)7-3-4-8-15/h9,12,16H,3-8,10H2,1-2H3.
What are the key properties of N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104611857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).