2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine

C14H13Cl2N3 — CID 80952632

IUPAC2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(Cl)cc2Cl)nc(C2CC2)n1
InChIInChI=1S/C14H13Cl2N3/c1-17-13-7-12(18-14(19-13)8-2-3-8)10-5-4-9(15)6-11(10)16/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyGYXKJLGIVYWWGT-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.37
Rot. Bonds3

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

2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 80952632) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine
PubChem CID80952632
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(Cl)cc2Cl)nc(C2CC2)n1
InChIInChI=1S/C14H13Cl2N3/c1-17-13-7-12(18-14(19-13)8-2-3-8)10-5-4-9(15)6-11(10)16/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyGYXKJLGIVYWWGT-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63481714
2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 114735030
2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502731
2-[(4-chlorophenyl)methyl]-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353708
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine
CID 80962555
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
2-cyclopropyl-4-N-(3,5-dichloro-4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107580777
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine (CID 80952632) is 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine is CNc1cc(-c2ccc(Cl)cc2Cl)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is GYXKJLGIVYWWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-17-13-7-12(18-14(19-13)8-2-3-8)10-5-4-9(15)6-11(10)16/h4-8H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 294.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).