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

C15H19N3O — CID 104663175

IUPACN-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
SMILESCCCOc1ccccc1-c1ccnc(NCC)n1
InChIInChI=1S/C15H19N3O/c1-3-11-19-14-8-6-5-7-12(14)13-9-10-17-15(18-13)16-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17,18)
InChIKeyXSWHPAZXDXRGFO-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.36
Rot. Bonds6

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

N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine (PubChem CID 104663175) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
PubChem CID104663175
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
SMILESCCCOc1ccccc1-c1ccnc(NCC)n1
InChIInChI=1S/C15H19N3O/c1-3-11-19-14-8-6-5-7-12(14)13-9-10-17-15(18-13)16-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17,18)
InChIKeyXSWHPAZXDXRGFO-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663149
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
CID 63547712
4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
CID 104663148
N-ethyl-4-methoxy-6-(2-propoxyphenyl)-1,3,5-triazin-2-amine
CID 104663162
N-ethyl-4-quinolin-8-ylpyrimidin-2-amine
CID 81221271
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80864811
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
CID 112638883

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine (CID 104663175) is N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine is CCCOc1ccccc1-c1ccnc(NCC)n1.
What is the InChIKey of N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine?
The InChIKey is XSWHPAZXDXRGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-19-14-8-6-5-7-12(14)13-9-10-17-15(18-13)16-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine?
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 104663175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).