2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine

C16H19ClFN3 — CID 82792954

IUPAC2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(Cc2cccc(Cl)c2F)nc1C
InChIInChI=1S/C16H19ClFN3/c1-10-13(7-8-19-3)11(2)21-15(20-10)9-12-5-4-6-14(17)16(12)18/h4-6,19H,7-9H2,1-3H3
InChIKeyIAZXMCKSZAWSID-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine

2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 82792954) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
PubChem CID82792954
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(Cc2cccc(Cl)c2F)nc1C
InChIInChI=1S/C16H19ClFN3/c1-10-13(7-8-19-3)11(2)21-15(20-10)9-12-5-4-6-14(17)16(12)18/h4-6,19H,7-9H2,1-3H3
InChIKeyIAZXMCKSZAWSID-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62744403
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82790822
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
1-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 82806848
2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
CID 84687329
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62745455
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine (CID 82792954) is 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(Cc2cccc(Cl)c2F)nc1C.
What is the InChIKey of 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is IAZXMCKSZAWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-10-13(7-8-19-3)11(2)21-15(20-10)9-12-5-4-6-14(17)16(12)18/h4-6,19H,7-9H2,1-3H3.
What are the key properties of 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 307.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 82792954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).