N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine

C9H13N3 — CID 116998358

IUPACN-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine
SMILESCNCC1(c2ncccn2)CC1
InChIInChI=1S/C9H13N3/c1-10-7-9(3-4-9)8-11-5-2-6-12-8/h2,5-6,10H,3-4,7H2,1H3
InChIKeyFIQXKYDSURWUGI-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine

N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine (PubChem CID 116998358) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine
PubChem CID116998358
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine
SMILESCNCC1(c2ncccn2)CC1
InChIInChI=1S/C9H13N3/c1-10-7-9(3-4-9)8-11-5-2-6-12-8/h2,5-6,10H,3-4,7H2,1H3
InChIKeyFIQXKYDSURWUGI-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine (CID 116998358) is N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine is CNCC1(c2ncccn2)CC1.
What is the InChIKey of N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine?
The InChIKey is FIQXKYDSURWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-10-7-9(3-4-9)8-11-5-2-6-12-8/h2,5-6,10H,3-4,7H2,1H3.
What are the key properties of N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine?
N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine has a molecular weight of 163.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine is sourced from PubChem (CID 116998358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).