2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide

C13H18N6O — CID 77097780

IUPAC2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C13H18N6O/c1-3-18(7-8-19-6-4-5-15-19)12(20)11-9-10(2)16-13(14)17-11/h4-6,9H,3,7-8H2,1-2H3,(H2,14,16,17)
InChIKeyCDNVFZQJXTZZAL-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide

2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide (PubChem CID 77097780) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide
PubChem CID77097780
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C13H18N6O/c1-3-18(7-8-19-6-4-5-15-19)12(20)11-9-10(2)16-13(14)17-11/h4-6,9H,3,7-8H2,1-2H3,(H2,14,16,17)
InChIKeyCDNVFZQJXTZZAL-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-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide (CID 77097780) is 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide is CCN(CCn1cccn1)C(=O)c1cc(C)nc(N)n1.
What is the InChIKey of 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is CDNVFZQJXTZZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-18(7-8-19-6-4-5-15-19)12(20)11-9-10(2)16-13(14)17-11/h4-6,9H,3,7-8H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide?
2-amino-N-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)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-ethyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 77097780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).