N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine

C13H13Cl2N3 — CID 81491856

IUPACN-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3/c1-2-16-8-10-5-6-17-13(18-10)9-3-4-11(14)12(15)7-9/h3-7,16H,2,8H2,1H3
InChIKeyKRQBYGJCJSYTRR-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.56
Rot. Bonds4

About N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 81491856) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID81491856
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3/c1-2-16-8-10-5-6-17-13(18-10)9-3-4-11(14)12(15)7-9/h3-7,16H,2,8H2,1H3
InChIKeyKRQBYGJCJSYTRR-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 81492186
N-[[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 114015473
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
CID 81491774
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
2-(3,4-dichlorophenyl)-4-methylpyrimidine
CID 21025841
N-[[2-(4-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62747587
N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
CID 81143145
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
N-[[2-(4-bromo-2-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 103083929
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine (CID 81491856) is N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is KRQBYGJCJSYTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-16-8-10-5-6-17-13(18-10)9-3-4-11(14)12(15)7-9/h3-7,16H,2,8H2,1H3.
What are the key properties of N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 282.17 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 81491856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).