6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine

C13H22N4 — CID 80955189

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCCC2(C)C)n1
InChIInChI=1S/C13H22N4/c1-4-6-11-15-10(14)9-12(16-11)17-8-5-7-13(17,2)3/h9H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyURQMNXNBXRXSTH-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.39
Rot. Bonds3

About 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine

6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80955189) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80955189
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCCC2(C)C)n1
InChIInChI=1S/C13H22N4/c1-4-6-11-15-10(14)9-12(16-11)17-8-5-7-13(17,2)3/h9H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyURQMNXNBXRXSTH-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine (CID 80955189) is 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(N2CCCC2(C)C)n1.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is URQMNXNBXRXSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-6-11-15-10(14)9-12(16-11)17-8-5-7-13(17,2)3/h9H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80955189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).