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

C20H26N4O3 — CID 109312606

IUPAC[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H26N4O3/c1-4-15-7-5-6-12-24(15)19(25)16-10-11-21-20(23-16)22-14-8-9-17(26-2)18(13-14)27-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,21,22,23)
InChIKeyRLAXUGFFNOZCGA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.64
Rot. Bonds6

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

[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109312606) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109312606
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H26N4O3/c1-4-15-7-5-6-12-24(15)19(25)16-10-11-21-20(23-16)22-14-8-9-17(26-2)18(13-14)27-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,21,22,23)
InChIKeyRLAXUGFFNOZCGA-UHFFFAOYSA-N
XLogP3.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354998
[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109125895
[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312617
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109311738
3,4-dihydro-2H-quinolin-1-yl-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109314648
N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056485
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
(2-ethylpiperidin-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109310948

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109312606) is [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is RLAXUGFFNOZCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-15-7-5-6-12-24(15)19(25)16-10-11-21-20(23-16)22-14-8-9-17(26-2)18(13-14)27-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,21,22,23).
What are the key properties of [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109312606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).