N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

C14H15Cl2N3O — CID 102951699

IUPACN-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-3-17-14(9-5-4-6-10(15)13(9)16)11-7-12(20-2)19-8-18-11/h4-8,14,17H,3H2,1-2H3
InChIKeyMFCLQHDJQHWBNJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.49
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (PubChem CID 102951699) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
PubChem CID102951699
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-3-17-14(9-5-4-6-10(15)13(9)16)11-7-12(20-2)19-8-18-11/h4-8,14,17H,3H2,1-2H3
InChIKeyMFCLQHDJQHWBNJ-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115851457
[2-(2,3-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 107312811
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 102951798

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (CID 102951699) is N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is CCNC(c1cc(OC)ncn1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The InChIKey is MFCLQHDJQHWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-17-14(9-5-4-6-10(15)13(9)16)11-7-12(20-2)19-8-18-11/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine has a molecular weight of 312.20 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102951699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).