6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

C14H16ClN3O — CID 63730431

IUPAC6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)c1ccccc1OC
InChIInChI=1S/C14H16ClN3O/c1-4-10-13(15)16-9-17-14(10)18(2)11-7-5-6-8-12(11)19-3/h5-9H,4H2,1-3H3
InChIKeyVKAWXYWCDXINMC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.47
Rot. Bonds4

About 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 63730431) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID63730431
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)c1ccccc1OC
InChIInChI=1S/C14H16ClN3O/c1-4-10-13(15)16-9-17-14(10)18(2)11-7-5-6-8-12(11)19-3/h5-9H,4H2,1-3H3
InChIKeyVKAWXYWCDXINMC-UHFFFAOYSA-N
XLogP3.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-hydrazinyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908314
5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 114049829
6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728165
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
6-chloro-N-(2-methoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 55167573
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66317935
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79072490
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 63730431) is 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)c1ccccc1OC.
What is the InChIKey of 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is VKAWXYWCDXINMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-10-13(15)16-9-17-14(10)18(2)11-7-5-6-8-12(11)19-3/h5-9H,4H2,1-3H3.
What are the key properties of 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63730431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).