6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine

C14H16ClN3O — CID 80876248

IUPAC6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-3-12-13(16-2)17-9-18-14(12)19-8-10-5-4-6-11(15)7-10/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyKCYVFTAGRYUIOI-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.31
Rot. Bonds5

About 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine

6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80876248) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80876248
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-3-12-13(16-2)17-9-18-14(12)19-8-10-5-4-6-11(15)7-10/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyKCYVFTAGRYUIOI-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
[6-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
6-[(3-methoxyphenyl)methoxy]-N,5-dimethylpyrimidin-4-amine
CID 80867778

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine (CID 80876248) is 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1OCc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is KCYVFTAGRYUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-12-13(16-2)17-9-18-14(12)19-8-10-5-4-6-11(15)7-10/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine?
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80876248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).