(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone

C17H28N4O — CID 109311738

IUPAC(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C17H28N4O/c1-4-14-7-5-6-12-21(14)16(22)15-9-11-19-17(20-15)18-10-8-13(2)3/h9,11,13-14H,4-8,10,12H2,1-3H3,(H,18,19,20)
InChIKeyWTEHTRHMICIUQC-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.34
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone

(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone (PubChem CID 109311738) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
PubChem CID109311738
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C17H28N4O/c1-4-14-7-5-6-12-21(14)16(22)15-9-11-19-17(20-15)18-10-8-13(2)3/h9,11,13-14H,4-8,10,12H2,1-3H3,(H,18,19,20)
InChIKeyWTEHTRHMICIUQC-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109310948
[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312617
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312606
ethyl 4-[2-(3-methylbutylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310281
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310655
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109309440
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310228

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone (CID 109311738) is (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone is CCC1CCCCN1C(=O)c1ccnc(NCCC(C)C)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
The InChIKey is WTEHTRHMICIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-14-7-5-6-12-21(14)16(22)15-9-11-19-17(20-15)18-10-8-13(2)3/h9,11,13-14H,4-8,10,12H2,1-3H3,(H,18,19,20).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109311738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).