N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide

C14H18N6O — CID 138002542

IUPACN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(C3CC3)n(C)n2)c(N)n1
InChIInChI=1S/C14H18N6O/c1-8-16-6-10(13(15)18-8)7-17-14(21)11-5-12(9-3-4-9)20(2)19-11/h5-6,9H,3-4,7H2,1-2H3,(H,17,21)(H2,15,16,18)
InChIKeyZDROYVWBWWAKBG-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.91
Rot. Bonds4

About N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide (PubChem CID 138002542) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
PubChem CID138002542
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(C3CC3)n(C)n2)c(N)n1
InChIInChI=1S/C14H18N6O/c1-8-16-6-10(13(15)18-8)7-17-14(21)11-5-12(9-3-4-9)20(2)19-11/h5-6,9H,3-4,7H2,1-2H3,(H,17,21)(H2,15,16,18)
InChIKeyZDROYVWBWWAKBG-UHFFFAOYSA-N
XLogP0.91
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide (CID 138002542) is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide is Cc1ncc(CNC(=O)c2cc(C3CC3)n(C)n2)c(N)n1.
What is the InChIKey of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The InChIKey is ZDROYVWBWWAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-8-16-6-10(13(15)18-8)7-17-14(21)11-5-12(9-3-4-9)20(2)19-11/h5-6,9H,3-4,7H2,1-2H3,(H,17,21)(H2,15,16,18).
What are the key properties of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 138002542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).