1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine

C9H13N3 — CID 62756946

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine
SMILESCNCc1cnc(C2CC2)nc1
InChIInChI=1S/C9H13N3/c1-10-4-7-5-11-9(12-6-7)8-2-3-8/h5-6,8,10H,2-4H2,1H3
InChIKeyPKWYOCMSVWUOJN-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine

1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine (PubChem CID 62756946) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine
PubChem CID62756946
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine
SMILESCNCc1cnc(C2CC2)nc1
InChIInChI=1S/C9H13N3/c1-10-4-7-5-11-9(12-6-7)8-2-3-8/h5-6,8,10H,2-4H2,1H3
InChIKeyPKWYOCMSVWUOJN-UHFFFAOYSA-N
XLogP1.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine (CID 62756946) is 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine is CNCc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine?
The InChIKey is PKWYOCMSVWUOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-10-4-7-5-11-9(12-6-7)8-2-3-8/h5-6,8,10H,2-4H2,1H3.
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine?
1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 62756946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).