6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C9H14N4 — CID 53408441

IUPAC6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H14N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyDMTHAPGLGQMHGT-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.97
Rot. Bonds1

About 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine

6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 53408441) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID53408441
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H14N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyDMTHAPGLGQMHGT-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 53408441) is 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1cc(N)nc(N2CCCC2)n1.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is DMTHAPGLGQMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53408441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).