4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 80806935

IUPAC4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(Nc2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C15H18BrClN4/c1-4-7-18-14-9(2)15(20-10(3)19-14)21-13-8-11(16)5-6-12(13)17/h5-6,8H,4,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyQFVHBBKZRCNIQS-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.07
Rot. Bonds5

About 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80806935) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80806935
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(Nc2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C15H18BrClN4/c1-4-7-18-14-9(2)15(20-10(3)19-14)21-13-8-11(16)5-6-12(13)17/h5-6,8H,4,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyQFVHBBKZRCNIQS-UHFFFAOYSA-N
XLogP5.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80825088
4-N-(3-bromo-4-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80838341
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 107647170
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80806935) is 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(Nc2cc(Br)ccc2Cl)c1C.
What is the InChIKey of 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is QFVHBBKZRCNIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-4-7-18-14-9(2)15(20-10(3)19-14)21-13-8-11(16)5-6-12(13)17/h5-6,8H,4,7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80806935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).