5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine

C11H9Cl2N3 — CID 82298713

IUPAC5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3/c1-6-10(11(14)16-5-15-6)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyLKVMNSOKILKISZ-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.34
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine

5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 82298713) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
PubChem CID82298713
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3/c1-6-10(11(14)16-5-15-6)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyLKVMNSOKILKISZ-UHFFFAOYSA-N
XLogP3.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
CID 82293098
5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 82284670
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
6-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 50972207
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
CID 115504339
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
3-(3,4-dichlorophenyl)-5-methylaniline
CID 107579512
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501533
2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
CID 118991314
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine (CID 82298713) is 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine is Cc1ncnc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is LKVMNSOKILKISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-6-10(11(14)16-5-15-6)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine?
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 254.12 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82298713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).