N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide

C13H18N6O — CID 80950267

IUPACN-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCCc1nc(NC)cc(-n2ccc(C(=O)NC)n2)n1
InChIInChI=1S/C13H18N6O/c1-4-5-10-16-11(14-2)8-12(17-10)19-7-6-9(18-19)13(20)15-3/h6-8H,4-5H2,1-3H3,(H,15,20)(H,14,16,17)
InChIKeySYQOVZULFGSCDP-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.02
Rot. Bonds5

About N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide

N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 80950267) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID80950267
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCCc1nc(NC)cc(-n2ccc(C(=O)NC)n2)n1
InChIInChI=1S/C13H18N6O/c1-4-5-10-16-11(14-2)8-12(17-10)19-7-6-9(18-19)13(20)15-3/h6-8H,4-5H2,1-3H3,(H,15,20)(H,14,16,17)
InChIKeySYQOVZULFGSCDP-UHFFFAOYSA-N
XLogP1.02
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide (CID 80950267) is N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide is CCCc1nc(NC)cc(-n2ccc(C(=O)NC)n2)n1.
What is the InChIKey of N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is SYQOVZULFGSCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-5-10-16-11(14-2)8-12(17-10)19-7-6-9(18-19)13(20)15-3/h6-8H,4-5H2,1-3H3,(H,15,20)(H,14,16,17).
What are the key properties of N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide?
N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 80950267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).