2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

C16H21BrN4 — CID 112924168

IUPAC2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C16H21BrN4/c1-5-21(6-2)15-10-12(4)18-16(20-15)19-13-7-8-14(17)11(3)9-13/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyGJLILVUXMKRCOY-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.45
Rot. Bonds5

About 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112924168) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112924168
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C16H21BrN4/c1-5-21(6-2)15-10-12(4)18-16(20-15)19-13-7-8-14(17)11(3)9-13/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyGJLILVUXMKRCOY-UHFFFAOYSA-N
XLogP4.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924174
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 121032523
4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112926360
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112924168) is 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is GJLILVUXMKRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-5-21(6-2)15-10-12(4)18-16(20-15)19-13-7-8-14(17)11(3)9-13/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).