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

C16H21BrN4 — CID 112924252

IUPAC4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-5-21(6-2)16-18-12(4)9-15(20-16)19-13-8-7-11(3)14(17)10-13/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyPJVFHHIJORGHAB-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.45
Rot. Bonds5

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

4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112924252) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112924252
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-5-21(6-2)16-18-12(4)9-15(20-16)19-13-8-7-11(3)14(17)10-13/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyPJVFHHIJORGHAB-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

4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924247
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924300
5-N-(3-bromo-4-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960966
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914058
4-N-(2-chlorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924240
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112924252) is 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1nc(C)cc(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is PJVFHHIJORGHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-5-21(6-2)16-18-12(4)9-15(20-16)19-13-8-7-11(3)14(17)10-13/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
4-N-(3-bromo-4-methylphenyl)-2-N,2-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 4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).