6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine

C16H28N4O — CID 80939867

IUPAC6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(OCC)CC2)nc(CC)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-15-12-16(19-14(5-2)18-15)20-10-7-13(8-11-20)21-6-3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeySHOLQCREBDWQHD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.87
Rot. Bonds7

About 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine

6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80939867) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
PubChem CID80939867
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(OCC)CC2)nc(CC)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-15-12-16(19-14(5-2)18-15)20-10-7-13(8-11-20)21-6-3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeySHOLQCREBDWQHD-UHFFFAOYSA-N
XLogP2.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943776
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
2-cyclopropyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80955847
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine (CID 80939867) is 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCC(OCC)CC2)nc(CC)n1.
What is the InChIKey of 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is SHOLQCREBDWQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-17-15-12-16(19-14(5-2)18-15)20-10-7-13(8-11-20)21-6-3/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).