2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine

C16H17Cl2N3 — CID 80949471

IUPAC2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(Cl)c2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H17Cl2N3/c1-2-8-19-14-9-13(20-16(21-14)10-6-7-10)11-4-3-5-12(17)15(11)18/h3-5,9-10H,2,6-8H2,1H3,(H,19,20,21)
InChIKeyLUOYPKCGRSEMRD-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.15
Rot. Bonds5

About 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine (PubChem CID 80949471) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
PubChem CID80949471
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(Cl)c2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H17Cl2N3/c1-2-8-19-14-9-13(20-16(21-14)10-6-7-10)11-4-3-5-12(17)15(11)18/h3-5,9-10H,2,6-8H2,1H3,(H,19,20,21)
InChIKeyLUOYPKCGRSEMRD-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 63479494
2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 80948713
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine (CID 80949471) is 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cccc(Cl)c2Cl)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is LUOYPKCGRSEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-2-8-19-14-9-13(20-16(21-14)10-6-7-10)11-4-3-5-12(17)15(11)18/h3-5,9-10H,2,6-8H2,1H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 322.24 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80949471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).