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

C8H10FN3O — CID 155161750

IUPAC5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide
SMILESCC(C)c1nc(C(N)=O)ncc1F
InChIInChI=1S/C8H10FN3O/c1-4(2)6-5(9)3-11-8(12-6)7(10)13/h3-4H,1-2H3,(H2,10,13)
InChIKeyRABUHVRQSQGKAV-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.84
Rot. Bonds2

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

5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide (PubChem CID 155161750) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide
PubChem CID155161750
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide
SMILESCC(C)c1nc(C(N)=O)ncc1F
InChIInChI=1S/C8H10FN3O/c1-4(2)6-5(9)3-11-8(12-6)7(10)13/h3-4H,1-2H3,(H2,10,13)
InChIKeyRABUHVRQSQGKAV-UHFFFAOYSA-N
XLogP0.84
TPSA68.87 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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide?
The IUPAC name of 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide (CID 155161750) is 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide is CC(C)c1nc(C(N)=O)ncc1F.
What is the InChIKey of 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide?
The InChIKey is RABUHVRQSQGKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-4(2)6-5(9)3-11-8(12-6)7(10)13/h3-4H,1-2H3,(H2,10,13).
What are the key properties of 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide?
5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide has a molecular weight of 183.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 155161750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).