4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine

C10H9Cl2N5 — CID 89380661

IUPAC4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cc(Cl)c(Cl)cc2N)ncn1
InChIInChI=1S/C10H9Cl2N5/c11-5-1-7(13)8(2-6(5)12)17-10-3-9(14)15-4-16-10/h1-4H,13H2,(H3,14,15,16,17)
InChIKeyWIAFKDGLZFFRQM-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.69
Rot. Bonds2

About 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine

4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 89380661) has the molecular formula C10H9Cl2N5 and a molecular weight of 270.12 g/mol. Its IUPAC name is 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
PubChem CID89380661
Molecular FormulaC10H9Cl2N5
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC Name4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cc(Cl)c(Cl)cc2N)ncn1
InChIInChI=1S/C10H9Cl2N5/c11-5-1-7(13)8(2-6(5)12)17-10-3-9(14)15-4-16-10/h1-4H,13H2,(H3,14,15,16,17)
InChIKeyWIAFKDGLZFFRQM-UHFFFAOYSA-N
XLogP2.69
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
CID 80772607
4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
CID 175234065
3-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80852551
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
CID 80759397
2-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841289
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine (CID 89380661) is 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine is Nc1cc(Nc2cc(Cl)c(Cl)cc2N)ncn1.
What is the InChIKey of 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is WIAFKDGLZFFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5/c11-5-1-7(13)8(2-6(5)12)17-10-3-9(14)15-4-16-10/h1-4H,13H2,(H3,14,15,16,17).
What are the key properties of 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine?
4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 270.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 89380661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).