(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone

C20H26N6O — CID 109262221

IUPAC(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2)C1
InChIInChI=1S/C20H26N6O/c1-16-5-4-8-26(15-16)19(27)17-13-22-20(23-14-17)25-11-9-24(10-12-25)18-6-2-3-7-21-18/h2-3,6-7,13-14,16H,4-5,8-12,15H2,1H3
InChIKeyDZKIEPKEGWOEOP-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.07
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone

(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109262221) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
PubChem CID109262221
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2)C1
InChIInChI=1S/C20H26N6O/c1-16-5-4-8-26(15-16)19(27)17-13-22-20(23-14-17)25-11-9-24(10-12-25)18-6-2-3-7-21-18/h2-3,6-7,13-14,16H,4-5,8-12,15H2,1H3
InChIKeyDZKIEPKEGWOEOP-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109160628
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254495
ethyl 4-[5-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261929
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109259645
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone (CID 109262221) is (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone is CC1CCCN(C(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
The InChIKey is DZKIEPKEGWOEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-5-4-8-26(15-16)19(27)17-13-22-20(23-14-17)25-11-9-24(10-12-25)18-6-2-3-7-21-18/h2-3,6-7,13-14,16H,4-5,8-12,15H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109262221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).