N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide

C19H24N6O2 — CID 109254112

IUPACN-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN1CCN(C(=O)c2cnc(Nc3ccc(NC(C)=O)cc3)nc2)CC1
InChIInChI=1S/C19H24N6O2/c1-3-24-8-10-25(11-9-24)18(27)15-12-20-19(21-13-15)23-17-6-4-16(5-7-17)22-14(2)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)(H,20,21,23)
InChIKeyKVTYRODWXICBBL-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.96
Rot. Bonds5

About N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 109254112) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID109254112
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN1CCN(C(=O)c2cnc(Nc3ccc(NC(C)=O)cc3)nc2)CC1
InChIInChI=1S/C19H24N6O2/c1-3-24-8-10-25(11-9-24)18(27)15-12-20-19(21-13-15)23-17-6-4-16(5-7-17)22-14(2)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)(H,20,21,23)
InChIKeyKVTYRODWXICBBL-UHFFFAOYSA-N
XLogP1.96
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254066
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
[2-(2,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254064
4-[2-[4-(diethylamino)anilino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254421
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109154844
ethyl 4-[2-(4-propan-2-ylanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261894
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254104
4-[[5-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109261079
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylanilino)pyrimidin-5-yl]methanone
CID 109261590

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 109254112) is N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide is CCN1CCN(C(=O)c2cnc(Nc3ccc(NC(C)=O)cc3)nc2)CC1.
What is the InChIKey of N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is KVTYRODWXICBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-3-24-8-10-25(11-9-24)18(27)15-12-20-19(21-13-15)23-17-6-4-16(5-7-17)22-14(2)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)(H,20,21,23).
What are the key properties of N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 109254112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).