(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone

C19H26N6O — CID 109345427

IUPAC(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(N(C)CCc3ccncc3)ncn2)CC1
InChIInChI=1S/C19H26N6O/c1-3-24-10-12-25(13-11-24)19(26)17-14-18(22-15-21-17)23(2)9-6-16-4-7-20-8-5-16/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3
InChIKeyOXOLGNNVSFMSIZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.33
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (PubChem CID 109345427) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
PubChem CID109345427
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(N(C)CCc3ccncc3)ncn2)CC1
InChIInChI=1S/C19H26N6O/c1-3-24-10-12-25(13-11-24)19(26)17-14-18(22-15-21-17)23(2)9-6-16-4-7-20-8-5-16/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3
InChIKeyOXOLGNNVSFMSIZ-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)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109302549
(4-ethylpiperazin-1-yl)-[6-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109345465
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351580
(4-ethylpiperazin-1-yl)-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109302541
methyl 3-[[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109351611
[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109352986
N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112861801

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (CID 109345427) is (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(N(C)CCc3ccncc3)ncn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The InChIKey is OXOLGNNVSFMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-24-10-12-25(13-11-24)19(26)17-14-18(22-15-21-17)23(2)9-6-16-4-7-20-8-5-16/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-[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)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109345427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).