4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

C14H17BrN4 — CID 82758799

IUPAC4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cc(C)ccc2Br)n1
InChIInChI=1S/C14H17BrN4/c1-4-12-18-13(16)9(3)14(19-12)17-11-7-8(2)5-6-10(11)15/h5-7H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyDLBXIWJUCVSTRU-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.74
Rot. Bonds3

About 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 82758799) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID82758799
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cc(C)ccc2Br)n1
InChIInChI=1S/C14H17BrN4/c1-4-12-18-13(16)9(3)14(19-12)17-11-7-8(2)5-6-10(11)15/h5-7H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyDLBXIWJUCVSTRU-UHFFFAOYSA-N
XLogP3.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80982732
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 81271742
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976908
4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 82758799) is 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2cc(C)ccc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is DLBXIWJUCVSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-4-12-18-13(16)9(3)14(19-12)17-11-7-8(2)5-6-10(11)15/h5-7H,4H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 82758799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).