N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine

C16H21N3O — CID 104663149

IUPACN-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
SMILESCCCOc1ccccc1-c1cc(C)nc(NCC)n1
InChIInChI=1S/C16H21N3O/c1-4-10-20-15-9-7-6-8-13(15)14-11-12(3)18-16(19-14)17-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyLUFYGPJBYWRWNS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine

N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine (PubChem CID 104663149) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
PubChem CID104663149
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
SMILESCCCOc1ccccc1-c1cc(C)nc(NCC)n1
InChIInChI=1S/C16H21N3O/c1-4-10-20-15-9-7-6-8-13(15)14-11-12(3)18-16(19-14)17-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyLUFYGPJBYWRWNS-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
CID 104663148
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663175
N-ethyl-4-methoxy-6-(2-propoxyphenyl)-1,3,5-triazin-2-amine
CID 104663162
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine (CID 104663149) is N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine is CCCOc1ccccc1-c1cc(C)nc(NCC)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine?
The InChIKey is LUFYGPJBYWRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-10-20-15-9-7-6-8-13(15)14-11-12(3)18-16(19-14)17-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine?
N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 104663149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).