6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine

C16H21N3O — CID 66325892

IUPAC6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-20-16-11-15(18-13(3)19-16)17-9-8-14-7-5-6-12(2)10-14/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPCXHYNYOQJLPOK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds6

About 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine

6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 66325892) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
PubChem CID66325892
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-20-16-11-15(18-13(3)19-16)17-9-8-14-7-5-6-12(2)10-14/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPCXHYNYOQJLPOK-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82454168
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
CID 80826170
2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80958392
N-[2-(3-methylphenyl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 78989285

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine (CID 66325892) is 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine is CCOc1cc(NCCc2cccc(C)c2)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is PCXHYNYOQJLPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-20-16-11-15(18-13(3)19-16)17-9-8-14-7-5-6-12(2)10-14/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66325892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).