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

C14H16ClN3O — CID 80974052

IUPAC6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H16ClN3O/c1-4-12-17-13(15)9(2)14(18-12)16-10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySBTOKSURTVIKKL-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.75
Rot. Bonds4

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

6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80974052) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
PubChem CID80974052
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H16ClN3O/c1-4-12-17-13(15)9(2)14(18-12)16-10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySBTOKSURTVIKKL-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974359
4-chloro-2-ethyl-6-(4-methoxyphenyl)-5-methylpyrimidine
CID 80975849
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973855
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81005929
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 107792315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine (CID 80974052) is 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is SBTOKSURTVIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-12-17-13(15)9(2)14(18-12)16-10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.75, 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-(4-methoxyphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).