4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide

C9H9N3O — CID 130718969

IUPAC4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
SMILESC#CCNC(=O)c1cncnc1C
InChIInChI=1S/C9H9N3O/c1-3-4-11-9(13)8-5-10-6-12-7(8)2/h1,5-6H,4H2,2H3,(H,11,13)
InChIKeyDRGVFBSQCGEDAZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.15
Rot. Bonds2

About 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide

4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide (PubChem CID 130718969) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
PubChem CID130718969
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
SMILESC#CCNC(=O)c1cncnc1C
InChIInChI=1S/C9H9N3O/c1-3-4-11-9(13)8-5-10-6-12-7(8)2/h1,5-6H,4H2,2H3,(H,11,13)
InChIKeyDRGVFBSQCGEDAZ-UHFFFAOYSA-N
XLogP0.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide (CID 130718969) is 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide is C#CCNC(=O)c1cncnc1C.
What is the InChIKey of 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide?
The InChIKey is DRGVFBSQCGEDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-3-4-11-9(13)8-5-10-6-12-7(8)2/h1,5-6H,4H2,2H3,(H,11,13).
What are the key properties of 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide?
4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide is sourced from PubChem (CID 130718969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).