1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

C12H16N6O — CID 80868849

IUPAC1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCCCc1c(N)ncnc1-n1ccc(C(=O)NC)n1
InChIInChI=1S/C12H16N6O/c1-3-4-8-10(13)15-7-16-11(8)18-6-5-9(17-18)12(19)14-2/h5-7H,3-4H2,1-2H3,(H,14,19)(H2,13,15,16)
InChIKeyLPEXQEZLQUWEDU-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.56
Rot. Bonds4

About 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 80868849) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
PubChem CID80868849
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCCCc1c(N)ncnc1-n1ccc(C(=O)NC)n1
InChIInChI=1S/C12H16N6O/c1-3-4-8-10(13)15-7-16-11(8)18-6-5-9(17-18)12(19)14-2/h5-7H,3-4H2,1-2H3,(H,14,19)(H2,13,15,16)
InChIKeyLPEXQEZLQUWEDU-UHFFFAOYSA-N
XLogP0.56
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (CID 80868849) is 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is CCCc1c(N)ncnc1-n1ccc(C(=O)NC)n1.
What is the InChIKey of 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is LPEXQEZLQUWEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-4-8-10(13)15-7-16-11(8)18-6-5-9(17-18)12(19)14-2/h5-7H,3-4H2,1-2H3,(H,14,19)(H2,13,15,16).
What are the key properties of 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 80868849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).