6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine

C15H19BrN4 — CID 112875723

IUPAC6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccccc2Br)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-4-20(5-2)15-10-14(17-11(3)18-15)19-13-9-7-6-8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyYWDPWKFQMOUCMO-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.14
Rot. Bonds5

About 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine

6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112875723) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
PubChem CID112875723
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccccc2Br)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-4-20(5-2)15-10-14(17-11(3)18-15)19-13-9-7-6-8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyYWDPWKFQMOUCMO-UHFFFAOYSA-N
XLogP4.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112875748
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875657
6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875670
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
4-N,4-N-diethyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875669
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
6-N-(2-bromophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878982
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine (CID 112875723) is 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2ccccc2Br)nc(C)n1.
What is the InChIKey of 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is YWDPWKFQMOUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-20(5-2)15-10-14(17-11(3)18-15)19-13-9-7-6-8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).