6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C15H22N6 — CID 106715942

IUPAC6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnn(C)c2)nc(N2CCCC2)n1
InChIInChI=1S/C15H22N6/c1-3-6-16-14-9-13(12-10-17-20(2)11-12)18-15(19-14)21-7-4-5-8-21/h9-11H,3-8H2,1-2H3,(H,16,18,19)
InChIKeyZOAMLZHPBIOHJT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds5

About 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine

6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 106715942) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID106715942
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnn(C)c2)nc(N2CCCC2)n1
InChIInChI=1S/C15H22N6/c1-3-6-16-14-9-13(12-10-17-20(2)11-12)18-15(19-14)21-7-4-5-8-21/h9-11H,3-8H2,1-2H3,(H,16,18,19)
InChIKeyZOAMLZHPBIOHJT-UHFFFAOYSA-N
XLogP2.30
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
6-(1-methylpyrazol-4-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716615
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
[2-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716175
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
2-(4-methylpiperazin-1-yl)-N,6-dipropylpyrimidin-4-amine
CID 62190377
4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 106715942) is 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine is CCCNc1cc(-c2cnn(C)c2)nc(N2CCCC2)n1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ZOAMLZHPBIOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-6-16-14-9-13(12-10-17-20(2)11-12)18-15(19-14)21-7-4-5-8-21/h9-11H,3-8H2,1-2H3,(H,16,18,19).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 106715942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).