2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine

C10H9Cl2N3 — CID 143899900

IUPAC2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine
SMILESClc1ncc(Cl)c(NC2=CC=CCC2)n1
InChIInChI=1S/C10H9Cl2N3/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-2,4,6H,3,5H2,(H,13,14,15)
InChIKeyYBPJKQPCRCTNLQ-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.43
Rot. Bonds2

About 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine

2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine (PubChem CID 143899900) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine
PubChem CID143899900
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine
SMILESClc1ncc(Cl)c(NC2=CC=CCC2)n1
InChIInChI=1S/C10H9Cl2N3/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-2,4,6H,3,5H2,(H,13,14,15)
InChIKeyYBPJKQPCRCTNLQ-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol
CID 144841167
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2,5-dichloro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 79632308
2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine
CID 165395228
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine (CID 143899900) is 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine is Clc1ncc(Cl)c(NC2=CC=CCC2)n1.
What is the InChIKey of 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine?
The InChIKey is YBPJKQPCRCTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-2,4,6H,3,5H2,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine?
2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine has a molecular weight of 242.11 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine is sourced from PubChem (CID 143899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).