2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine

C14H17BrN4 — CID 112881854

IUPAC2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C14H17BrN4/c1-3-7-16-13-6-8-17-14(19-13)18-11-5-4-10(2)12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyACXOLRQKZFIIFH-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.11
Rot. Bonds5

About 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine

2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881854) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881854
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C14H17BrN4/c1-3-7-16-13-6-8-17-14(19-13)18-11-5-4-10(2)12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyACXOLRQKZFIIFH-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
2-N-(3-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893750
2-N-(4-bromo-3-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900416
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
2-N-(4-bromo-3-methylphenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112900224
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892194
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887204
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881854) is 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is ACXOLRQKZFIIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-7-16-13-6-8-17-14(19-13)18-11-5-4-10(2)12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).