N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

C15H17Cl2N3 — CID 107308457

IUPACN-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ncccn1
InChIInChI=1S/C15H17Cl2N3/c1-2-7-18-13(15-19-8-4-9-20-15)10-11-5-3-6-12(16)14(11)17/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyWEDHNIFPFDFSMT-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.07
Rot. Bonds6

About N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (PubChem CID 107308457) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
PubChem CID107308457
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ncccn1
InChIInChI=1S/C15H17Cl2N3/c1-2-7-18-13(15-19-8-4-9-20-15)10-11-5-3-6-12(16)14(11)17/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyWEDHNIFPFDFSMT-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
CID 107308391
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107309029
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853
N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107308639
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (CID 107308457) is N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)c1ncccn1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The InChIKey is WEDHNIFPFDFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-2-7-18-13(15-19-8-4-9-20-15)10-11-5-3-6-12(16)14(11)17/h3-6,8-9,13,18H,2,7,10H2,1H3.
What are the key properties of N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine has a molecular weight of 310.23 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 107308457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).