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

C14H13Cl2N3 — CID 80975439

IUPAC2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3/c1-7-12(9-4-5-10(15)11(16)6-9)18-14(8-2-3-8)19-13(7)17/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyOMVUJKBBHMYRDP-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.22
Rot. Bonds2

About 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 80975439) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
PubChem CID80975439
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3/c1-7-12(9-4-5-10(15)11(16)6-9)18-14(8-2-3-8)19-13(7)17/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyOMVUJKBBHMYRDP-UHFFFAOYSA-N
XLogP4.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine
CID 80977406
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80975062
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 103434518
2-cyclopropyl-6-methylquinazolin-4-amine
CID 103691727
6-chloro-2-cyclopropylquinazolin-4-amine
CID 106583780
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80951908

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine (CID 80975439) is 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is OMVUJKBBHMYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-7-12(9-4-5-10(15)11(16)6-9)18-14(8-2-3-8)19-13(7)17/h4-6,8H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 294.19 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).