N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine

C16H21N3O — CID 62190374

IUPACN-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2cccc(OC)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-7-13-11-15(17-5-2)19-16(18-13)12-8-6-9-14(10-12)20-3/h6,8-11H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyIKCUPGBKNLGSEB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine

N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine (PubChem CID 62190374) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
PubChem CID62190374
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2cccc(OC)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-7-13-11-15(17-5-2)19-16(18-13)12-8-6-9-14(10-12)20-3/h6,8-11H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyIKCUPGBKNLGSEB-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
CID 62202777
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 62321190
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 115568211
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine (CID 62190374) is N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(-c2cccc(OC)c2)n1.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
The InChIKey is IKCUPGBKNLGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-7-13-11-15(17-5-2)19-16(18-13)12-8-6-9-14(10-12)20-3/h6,8-11H,4-5,7H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62190374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).