4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine

C13H12BrClN4 — CID 103481973

IUPAC4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
SMILESNc1cc(Nc2cccc(Cl)c2Br)nc(C2CC2)n1
InChIInChI=1S/C13H12BrClN4/c14-12-8(15)2-1-3-9(12)17-11-6-10(16)18-13(19-11)7-4-5-7/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
InChIKeyFVDJMONZZHSFNH-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.10
Rot. Bonds3

About 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine

4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine (PubChem CID 103481973) has the molecular formula C13H12BrClN4 and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
PubChem CID103481973
Molecular FormulaC13H12BrClN4
Molecular Weight339.62 g/mol
Exact Mass337.99
IUPAC Name4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
SMILESNc1cc(Nc2cccc(Cl)c2Br)nc(C2CC2)n1
InChIInChI=1S/C13H12BrClN4/c14-12-8(15)2-1-3-9(12)17-11-6-10(16)18-13(19-11)7-4-5-7/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
InChIKeyFVDJMONZZHSFNH-UHFFFAOYSA-N
XLogP4.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(2-iodophenyl)pyrimidine-4,6-diamine
CID 80956491
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 53214520
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801851
4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
CID 103481957
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 103481032
2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
5-N-(2-bromo-3-chlorophenyl)pyridine-3,5-diamine
CID 103481979
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
CID 80963140

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine (CID 103481973) is 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine is Nc1cc(Nc2cccc(Cl)c2Br)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine?
The InChIKey is FVDJMONZZHSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4/c14-12-8(15)2-1-3-9(12)17-11-6-10(16)18-13(19-11)7-4-5-7/h1-3,6-7H,4-5H2,(H3,16,17,18,19).
What are the key properties of 4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine?
4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine has a molecular weight of 339.62 g/mol, XLogP of 4.10, 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-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine is sourced from PubChem (CID 103481973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).