6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide

C14H15BrN4O — CID 109338989

IUPAC6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C14H15BrN4O/c1-9(2)18-14(20)12-7-13(17-8-16-12)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyXUSZILQXYAKKOT-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.12
Rot. Bonds4

About 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide

6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109338989) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109338989
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C14H15BrN4O/c1-9(2)18-14(20)12-7-13(17-8-16-12)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyXUSZILQXYAKKOT-UHFFFAOYSA-N
XLogP3.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340918
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338994
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109338989) is 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is XUSZILQXYAKKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9(2)18-14(20)12-7-13(17-8-16-12)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).