N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine

C15H18N4 — CID 55114430

IUPACN-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(Cc2cccnc2)n1
InChIInChI=1S/C15H18N4/c1-11-7-14(10-17-13-4-5-13)19-15(18-11)8-12-3-2-6-16-9-12/h2-3,6-7,9,13,17H,4-5,8,10H2,1H3
InChIKeyZWULLNZTHYOGQX-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.02
Rot. Bonds5

About N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 55114430) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID55114430
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(Cc2cccnc2)n1
InChIInChI=1S/C15H18N4/c1-11-7-14(10-17-13-4-5-13)19-15(18-11)8-12-3-2-6-16-9-12/h2-3,6-7,9,13,17H,4-5,8,10H2,1H3
InChIKeyZWULLNZTHYOGQX-UHFFFAOYSA-N
XLogP2.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736915
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 103987970
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
6-(methoxymethyl)-N-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 55086950
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 55114430) is N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(Cc2cccnc2)n1.
What is the InChIKey of N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is ZWULLNZTHYOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-7-14(10-17-13-4-5-13)19-15(18-11)8-12-3-2-6-16-9-12/h2-3,6-7,9,13,17H,4-5,8,10H2,1H3.
What are the key properties of N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 254.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55114430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).