2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine

C11H9Cl2N3 — CID 79632159

IUPAC2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C11H9Cl2N3/c1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyTUWIRSSOXHZFNW-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.84
Rot. Bonds2

About 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine

2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 79632159) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
PubChem CID79632159
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C11H9Cl2N3/c1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyTUWIRSSOXHZFNW-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 161208075
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
4-N-(3H-benzimidazol-5-yl)-5-chloro-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 164610376
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 158579981
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine (CID 79632159) is 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2nc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is TUWIRSSOXHZFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 254.12 g/mol, XLogP of 3.84, 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-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79632159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).