N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

C18H24N4O — CID 112868907

IUPACN-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCCOc1ccccc1Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-3-23-16-10-6-5-9-15(16)21-17-13-18(20-14(2)19-17)22-11-7-4-8-12-22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyBIWTZECACRJPQT-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.92
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112868907) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112868907
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCCOc1ccccc1Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-3-23-16-10-6-5-9-15(16)21-17-13-18(20-14(2)19-17)22-11-7-4-8-12-22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyBIWTZECACRJPQT-UHFFFAOYSA-N
XLogP3.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871098
N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112868907) is N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is CCOc1ccccc1Nc1cc(N2CCCCC2)nc(C)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is BIWTZECACRJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-23-16-10-6-5-9-15(16)21-17-13-18(20-14(2)19-17)22-11-7-4-8-12-22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).