2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine

C9H14N4 — CID 130558111

IUPAC2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine
SMILESCC1C(N)CCN1c1ccncn1
InChIInChI=1S/C9H14N4/c1-7-8(10)3-5-13(7)9-2-4-11-6-12-9/h2,4,6-8H,3,5,10H2,1H3
InChIKeyQDBCGTSQORIATF-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.40
Rot. Bonds1

About 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine

2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine (PubChem CID 130558111) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine
PubChem CID130558111
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine
SMILESCC1C(N)CCN1c1ccncn1
InChIInChI=1S/C9H14N4/c1-7-8(10)3-5-13(7)9-2-4-11-6-12-9/h2,4,6-8H,3,5,10H2,1H3
InChIKeyQDBCGTSQORIATF-UHFFFAOYSA-N
XLogP0.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine?
The IUPAC name of 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine (CID 130558111) is 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine.
What is the SMILES notation for 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine?
The canonical SMILES for 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine is CC1C(N)CCN1c1ccncn1.
What is the InChIKey of 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine?
The InChIKey is QDBCGTSQORIATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-8(10)3-5-13(7)9-2-4-11-6-12-9/h2,4,6-8H,3,5,10H2,1H3.
What are the key properties of 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine?
2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine is sourced from PubChem (CID 130558111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).