2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine

C16H28N4O — CID 80991118

IUPAC2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OC2CCN(C)CC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-9-17-15-12(3)16(19-14(6-2)18-15)21-13-7-10-20(4)11-8-13/h13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyLLNVTECSQRUSGO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.64
Rot. Bonds6

About 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine

2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine (PubChem CID 80991118) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
PubChem CID80991118
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OC2CCN(C)CC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-9-17-15-12(3)16(19-14(6-2)18-15)21-13-7-10-20(4)11-8-13/h13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyLLNVTECSQRUSGO-UHFFFAOYSA-N
XLogP2.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812
3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine
CID 102760875
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80991257
2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-4-amine
CID 116794371
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
N-ethyl-5-methyl-6-(oxan-4-yloxy)-2-propylpyrimidin-4-amine
CID 80990812
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80989749
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine (CID 80991118) is 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(OC2CCN(C)CC2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine?
The InChIKey is LLNVTECSQRUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-9-17-15-12(3)16(19-14(6-2)18-15)21-13-7-10-20(4)11-8-13/h13H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine?
2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80991118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).