6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine

C14H16ClN3O2 — CID 63735080

IUPAC6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H16ClN3O2/c1-4-12-13(15)16-8-17-14(12)18-9-5-10(19-2)7-11(6-9)20-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyDTGUQXHMHIAMHI-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.45
Rot. Bonds5

About 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine

6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine (PubChem CID 63735080) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
PubChem CID63735080
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H16ClN3O2/c1-4-12-13(15)16-8-17-14(12)18-9-5-10(19-2)7-11(6-9)20-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyDTGUQXHMHIAMHI-UHFFFAOYSA-N
XLogP3.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104849787
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566732

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine (CID 63735080) is 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine?
The InChIKey is DTGUQXHMHIAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-4-12-13(15)16-8-17-14(12)18-9-5-10(19-2)7-11(6-9)20-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine?
6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 63735080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).