N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide

C16H19BrN4O — CID 109362467

IUPACN-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccccc2Br)nc(C)n1
InChIInChI=1S/C16H19BrN4O/c1-4-10(2)18-15-9-14(19-11(3)20-15)16(22)21-13-8-6-5-7-12(13)17/h5-10H,4H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyLGUCHMISCPPHLH-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.01
Rot. Bonds5

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

N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362467) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109362467
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccccc2Br)nc(C)n1
InChIInChI=1S/C16H19BrN4O/c1-4-10(2)18-15-9-14(19-11(3)20-15)16(22)21-13-8-6-5-7-12(13)17/h5-10H,4H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyLGUCHMISCPPHLH-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109362417
N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370811
6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362278
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848531
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide (CID 109362467) is N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccccc2Br)nc(C)n1.
What is the InChIKey of N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is LGUCHMISCPPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-10(2)18-15-9-14(19-11(3)20-15)16(22)21-13-8-6-5-7-12(13)17/h5-10H,4H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide?
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).