N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine

C17H28N4O — CID 128804856

IUPACN-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NC3COC(C)(C)C3)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-4-13-9-16(19-12-18-13)21-7-5-14(6-8-21)20-15-10-17(2,3)22-11-15/h9,12,14-15,20H,4-8,10-11H2,1-3H3
InChIKeyYZQVSGBMGTURJV-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.16
Rot. Bonds4

About N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine

N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 128804856) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
PubChem CID128804856
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NC3COC(C)(C)C3)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-4-13-9-16(19-12-18-13)21-7-5-14(6-8-21)20-15-10-17(2,3)22-11-15/h9,12,14-15,20H,4-8,10-11H2,1-3H3
InChIKeyYZQVSGBMGTURJV-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
CID 154785490
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 71980333
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591241
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
CID 71980330

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine (CID 128804856) is N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine is CCc1cc(N2CCC(NC3COC(C)(C)C3)CC2)ncn1.
What is the InChIKey of N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is YZQVSGBMGTURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-13-9-16(19-12-18-13)21-7-5-14(6-8-21)20-15-10-17(2,3)22-11-15/h9,12,14-15,20H,4-8,10-11H2,1-3H3.
What are the key properties of N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 128804856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).