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

C15H18ClN3O — CID 80974359

IUPAC6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C15H18ClN3O/c1-5-13-18-14(16)10(3)15(19-13)17-11-8-9(2)6-7-12(11)20-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyURADNJXUVSDRSR-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.06
Rot. Bonds4

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

6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80974359) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID80974359
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C15H18ClN3O/c1-5-13-18-14(16)10(3)15(19-13)17-11-8-9(2)6-7-12(11)20-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyURADNJXUVSDRSR-UHFFFAOYSA-N
XLogP4.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973855
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963
3,5-dichloro-6-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 102762320
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 107792315
4-N-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005
4-N-(2-methoxy-5-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80736748

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine (CID 80974359) is 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(Nc2cc(C)ccc2OC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is URADNJXUVSDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-5-13-18-14(16)10(3)15(19-13)17-11-8-9(2)6-7-12(11)20-4/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).