(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone

C19H26N6O — CID 109302549

IUPAC(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(N(C)CCc3ccncc3)n2)CC1
InChIInChI=1S/C19H26N6O/c1-3-24-12-14-25(15-13-24)18(26)17-6-10-21-19(22-17)23(2)11-7-16-4-8-20-9-5-16/h4-6,8-10H,3,7,11-15H2,1-2H3
InChIKeyGLKDWZQRMXRKNT-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.33
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (PubChem CID 109302549) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
PubChem CID109302549
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(N(C)CCc3ccncc3)n2)CC1
InChIInChI=1S/C19H26N6O/c1-3-24-12-14-25(15-13-24)18(26)17-6-10-21-19(22-17)23(2)11-7-16-4-8-20-9-5-16/h4-6,8-10H,3,7,11-15H2,1-2H3
InChIKeyGLKDWZQRMXRKNT-UHFFFAOYSA-N
XLogP1.33
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109345427
(4-ethylpiperazin-1-yl)-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109302541
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109309014
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
2-[methyl(2-pyridin-4-ylethyl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296153
1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946858
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (CID 109302549) is (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2ccnc(N(C)CCc3ccncc3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The InChIKey is GLKDWZQRMXRKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-24-12-14-25(15-13-24)18(26)17-6-10-21-19(22-17)23(2)11-7-16-4-8-20-9-5-16/h4-6,8-10H,3,7,11-15H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109302549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).