N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide

C13H18N6O — CID 80867683

IUPACN-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCCNc1ncnc(-n2ccc(C(=O)NC)n2)c1C
InChIInChI=1S/C13H18N6O/c1-4-6-15-11-9(2)12(17-8-16-11)19-7-5-10(18-19)13(20)14-3/h5,7-8H,4,6H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyHDVTYBFOKZPSNS-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.15
Rot. Bonds5

About N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide

N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 80867683) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID80867683
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCCNc1ncnc(-n2ccc(C(=O)NC)n2)c1C
InChIInChI=1S/C13H18N6O/c1-4-6-15-11-9(2)12(17-8-16-11)19-7-5-10(18-19)13(20)14-3/h5,7-8H,4,6H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyHDVTYBFOKZPSNS-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 80868849
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
CID 80988908
1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 64781189
N,N-dimethyl-1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80843200
N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322286
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 80868436
1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 79073921
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 81001490
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
5-methyl-N-propyl-6-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 80868402

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide (CID 80867683) is N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide is CCCNc1ncnc(-n2ccc(C(=O)NC)n2)c1C.
What is the InChIKey of N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is HDVTYBFOKZPSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-6-15-11-9(2)12(17-8-16-11)19-7-5-10(18-19)13(20)14-3/h5,7-8H,4,6H2,1-3H3,(H,14,20)(H,15,16,17).
What are the key properties of N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 80867683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).