2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C13H18N6 — CID 145480192

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(N2CCCC2)n1
InChIInChI=1S/C13H18N6/c1-9-7-12(18-17-9)16-11-8-13(15-10(2)14-11)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUSDGESKZLNOMBD-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 145480192) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID145480192
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(N2CCCC2)n1
InChIInChI=1S/C13H18N6/c1-9-7-12(18-17-9)16-11-8-13(15-10(2)14-11)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUSDGESKZLNOMBD-UHFFFAOYSA-N
XLogP2.16
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 145480192) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2cc(C)[nH]n2)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is USDGESKZLNOMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-7-12(18-17-9)16-11-8-13(15-10(2)14-11)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 145480192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).