4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine

C10H10ClN5 — CID 143942387

IUPAC4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
SMILESNc1ccc(Nc2ncnc(Cl)c2N)cc1
InChIInChI=1S/C10H10ClN5/c11-9-8(13)10(15-5-14-9)16-7-3-1-6(12)2-4-7/h1-5H,12-13H2,(H,14,15,16)
InChIKeyGPJTYIIWLZECKZ-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.04
Rot. Bonds2

About 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine

4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine (PubChem CID 143942387) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
PubChem CID143942387
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
SMILESNc1ccc(Nc2ncnc(Cl)c2N)cc1
InChIInChI=1S/C10H10ClN5/c11-9-8(13)10(15-5-14-9)16-7-3-1-6(12)2-4-7/h1-5H,12-13H2,(H,14,15,16)
InChIKeyGPJTYIIWLZECKZ-UHFFFAOYSA-N
XLogP2.04
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-N-(4-methylsulfonylphenyl)pyrimidine-4,5-diamine
CID 55144269
6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
CID 86022400
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)phenyl]methanol
CID 11587245
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-chloro-4-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-4,5-diamine
CID 115564038
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine (CID 143942387) is 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine is Nc1ccc(Nc2ncnc(Cl)c2N)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine?
The InChIKey is GPJTYIIWLZECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c11-9-8(13)10(15-5-14-9)16-7-3-1-6(12)2-4-7/h1-5H,12-13H2,(H,14,15,16).
What are the key properties of 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine?
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine has a molecular weight of 235.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine is sourced from PubChem (CID 143942387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).