N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine

C16H21N3O — CID 66327874

IUPACN-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2ncnc(OC)c2C)cc1
InChIInChI=1S/C16H21N3O/c1-5-13-6-8-14(9-7-13)12(3)19-15-11(2)16(20-4)18-10-17-15/h6-10,12H,5H2,1-4H3,(H,17,18,19)
InChIKeyQCMHMAFAFUWRHI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine

N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 66327874) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID66327874
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2ncnc(OC)c2C)cc1
InChIInChI=1S/C16H21N3O/c1-5-13-6-8-14(9-7-13)12(3)19-15-11(2)16(20-4)18-10-17-15/h6-10,12H,5H2,1-4H3,(H,17,18,19)
InChIKeyQCMHMAFAFUWRHI-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 66327670
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
N-[1-(4-ethylphenyl)ethyl]-3-methoxypyridin-2-amine
CID 115923091
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
CID 66326464
2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66333366
6-methoxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 114182450
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
CID 66325227
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 66327874) is N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine is CCc1ccc(C(C)Nc2ncnc(OC)c2C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is QCMHMAFAFUWRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-13-6-8-14(9-7-13)12(3)19-15-11(2)16(20-4)18-10-17-15/h6-10,12H,5H2,1-4H3,(H,17,18,19).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66327874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).