N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine

C11H15N3 — CID 79340938

IUPACN-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine
SMILESCC(=Cc1ccncn1)CNC1CC1
InChIInChI=1S/C11H15N3/c1-9(7-13-10-2-3-10)6-11-4-5-12-8-14-11/h4-6,8,10,13H,2-3,7H2,1H3
InChIKeyGYAJWPFQEVSBMM-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds4

About N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine

N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine (PubChem CID 79340938) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine
PubChem CID79340938
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine
SMILESCC(=Cc1ccncn1)CNC1CC1
InChIInChI=1S/C11H15N3/c1-9(7-13-10-2-3-10)6-11-4-5-12-8-14-11/h4-6,8,10,13H,2-3,7H2,1H3
InChIKeyGYAJWPFQEVSBMM-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine?
The IUPAC name of N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine (CID 79340938) is N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine.
What is the SMILES notation for N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine?
The canonical SMILES for N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine is CC(=Cc1ccncn1)CNC1CC1.
What is the InChIKey of N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine?
The InChIKey is GYAJWPFQEVSBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(7-13-10-2-3-10)6-11-4-5-12-8-14-11/h4-6,8,10,13H,2-3,7H2,1H3.
What are the key properties of N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine?
N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine has a molecular weight of 189.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine is sourced from PubChem (CID 79340938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).