N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide

C15H17BrN4O — CID 109340731

IUPACN-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-10(2)19-14-8-13(17-9-18-14)15(21)20-12-6-4-5-11(16)7-12/h4-10H,3H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyJVVJIZNTXBCKAE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.70
Rot. Bonds5

About N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide

N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109340731) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109340731
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-10(2)19-14-8-13(17-9-18-14)15(21)20-12-6-4-5-11(16)7-12/h4-10H,3H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyJVVJIZNTXBCKAE-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.70
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-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109340748
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
N-(1,3-benzodioxol-5-yl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340735
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide (CID 109340731) is N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2cccc(Br)c2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is JVVJIZNTXBCKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-10(2)19-14-8-13(17-9-18-14)15(21)20-12-6-4-5-11(16)7-12/h4-10H,3H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).