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

C16H25N3 — CID 65399678

IUPACN-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H25N3/c1-12-10-15(11-17-14-8-9-14)19-16(18-12)13-6-4-2-3-5-7-13/h10,13-14,17H,2-9,11H2,1H3
InChIKeyLXBDPRRLRZYBLE-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.47
Rot. Bonds4

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

N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 65399678) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID65399678
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H25N3/c1-12-10-15(11-17-14-8-9-14)19-16(18-12)13-6-4-2-3-5-7-13/h10,13-14,17H,2-9,11H2,1H3
InChIKeyLXBDPRRLRZYBLE-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
N-[[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 79667225
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
CID 65333930
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62744118

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine (CID 65399678) is N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(C2CCCCCC2)n1.
What is the InChIKey of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is LXBDPRRLRZYBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-10-15(11-17-14-8-9-14)19-16(18-12)13-6-4-2-3-5-7-13/h10,13-14,17H,2-9,11H2,1H3.
What are the key properties of N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine?
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65399678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).