4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine

C13H13BrCl2N4 — CID 107794868

IUPAC4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C13H13BrCl2N4/c1-2-3-10-19-9(17)6-11(20-10)18-8-5-4-7(14)12(15)13(8)16/h4-6H,2-3H2,1H3,(H3,17,18,19,20)
InChIKeyGLZYCQGWCOGNMP-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.82
Rot. Bonds4

About 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine

4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 107794868) has the molecular formula C13H13BrCl2N4 and a molecular weight of 376.09 g/mol. Its IUPAC name is 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID107794868
Molecular FormulaC13H13BrCl2N4
Molecular Weight376.09 g/mol
Exact Mass373.97
IUPAC Name4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C13H13BrCl2N4/c1-2-3-10-19-9(17)6-11(20-10)18-8-5-4-7(14)12(15)13(8)16/h4-6H,2-3H2,1H3,(H3,17,18,19,20)
InChIKeyGLZYCQGWCOGNMP-UHFFFAOYSA-N
XLogP4.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 107795388
4-N-(4-bromo-2,3-dichlorophenyl)-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 107794910
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80950260
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80949589
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383
4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934075
2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80945825
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine (CID 107794868) is 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(Nc2ccc(Br)c(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is GLZYCQGWCOGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N4/c1-2-3-10-19-9(17)6-11(20-10)18-8-5-4-7(14)12(15)13(8)16/h4-6H,2-3H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 376.09 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107794868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).