5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide

C8H10FN3O — CID 174282215

IUPAC5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ncncc1F
InChIInChI=1S/C8H10FN3O/c1-5(2)12-8(13)7-6(9)3-10-4-11-7/h3-5H,1-2H3,(H,12,13)
InChIKeyJXWVNFAHDKMPBB-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.75
Rot. Bonds2

About 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide

5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 174282215) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID174282215
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ncncc1F
InChIInChI=1S/C8H10FN3O/c1-5(2)12-8(13)7-6(9)3-10-4-11-7/h3-5H,1-2H3,(H,12,13)
InChIKeyJXWVNFAHDKMPBB-UHFFFAOYSA-N
XLogP0.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide (CID 174282215) is 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1ncncc1F.
What is the InChIKey of 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JXWVNFAHDKMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-5(2)12-8(13)7-6(9)3-10-4-11-7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide?
5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 183.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 174282215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).