[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

C19H25N5O3 — CID 109254104

IUPAC[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(Nc3ccc(OC)cc3OC)nc2)CC1
InChIInChI=1S/C19H25N5O3/c1-4-23-7-9-24(10-8-23)18(25)14-12-20-19(21-13-14)22-16-6-5-15(26-2)11-17(16)27-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyFTLCGFZZPCWUOY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.02
Rot. Bonds6

About [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109254104) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109254104
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(Nc3ccc(OC)cc3OC)nc2)CC1
InChIInChI=1S/C19H25N5O3/c1-4-23-7-9-24(10-8-23)18(25)14-12-20-19(21-13-14)22-16-6-5-15(26-2)11-17(16)27-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyFTLCGFZZPCWUOY-UHFFFAOYSA-N
XLogP2.02
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254064
N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254066
ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261901
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253755
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109254112
(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267735
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253752

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109254104) is [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(Nc3ccc(OC)cc3OC)nc2)CC1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FTLCGFZZPCWUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-23-7-9-24(10-8-23)18(25)14-12-20-19(21-13-14)22-16-6-5-15(26-2)11-17(16)27-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,21,22).
What are the key properties of [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109254104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).