2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide

C13H18N6O — CID 28785555

IUPAC2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCCn2cccn2)nc(N)n1
InChIInChI=1S/C13H18N6O/c1-10-9-11(17-13(14)16-10)12(20)18(2)6-4-8-19-7-3-5-15-19/h3,5,7,9H,4,6,8H2,1-2H3,(H2,14,16,17)
InChIKeyRWMMPQGGVOUQAJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide

2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 28785555) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
PubChem CID28785555
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCCn2cccn2)nc(N)n1
InChIInChI=1S/C13H18N6O/c1-10-9-11(17-13(14)16-10)12(20)18(2)6-4-8-19-7-3-5-15-19/h3,5,7,9H,4,6,8H2,1-2H3,(H2,14,16,17)
InChIKeyRWMMPQGGVOUQAJ-UHFFFAOYSA-N
XLogP0.73
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide (CID 28785555) is 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)CCCn2cccn2)nc(N)n1.
What is the InChIKey of 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is RWMMPQGGVOUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-9-11(17-13(14)16-10)12(20)18(2)6-4-8-19-7-3-5-15-19/h3,5,7,9H,4,6,8H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 28785555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).