5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide

C12H12ClN5O — CID 55032941

IUPAC5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2cnccn2)n1
InChIInChI=1S/C12H12ClN5O/c1-7(2)11-16-5-8(13)10(18-11)12(19)17-9-6-14-3-4-15-9/h3-7H,1-2H3,(H,15,17,19)
InChIKeyHQUXDZUQBPVPJG-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.30
Rot. Bonds3

About 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide

5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide (PubChem CID 55032941) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
PubChem CID55032941
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2cnccn2)n1
InChIInChI=1S/C12H12ClN5O/c1-7(2)11-16-5-8(13)10(18-11)12(19)17-9-6-14-3-4-15-9/h3-7H,1-2H3,(H,15,17,19)
InChIKeyHQUXDZUQBPVPJG-UHFFFAOYSA-N
XLogP2.30
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide (CID 55032941) is 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2cnccn2)n1.
What is the InChIKey of 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide?
The InChIKey is HQUXDZUQBPVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-7(2)11-16-5-8(13)10(18-11)12(19)17-9-6-14-3-4-15-9/h3-7H,1-2H3,(H,15,17,19).
What are the key properties of 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide?
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55032941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).