4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one

C24H25N5O2S — CID 135418106

IUPAC4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)n1
InChIInChI=1S/C24H25N5O2S/c1-2-16-15-22(30)27-23(25-16)26-17-11-13-28(14-12-17)24(31)29-18-7-3-5-9-20(18)32-21-10-6-4-8-19(21)29/h3-10,15,17H,2,11-14H2,1H3,(H2,25,26,27,30)
InChIKeyHKQZKQYGCHVCCN-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.63
Rot. Bonds3

About 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one

4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 135418106) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID135418106
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)n1
InChIInChI=1S/C24H25N5O2S/c1-2-16-15-22(30)27-23(25-16)26-17-11-13-28(14-12-17)24(31)29-18-7-3-5-9-20(18)32-21-10-6-4-8-19(21)29/h3-10,15,17H,2,11-14H2,1H3,(H2,25,26,27,30)
InChIKeyHKQZKQYGCHVCCN-UHFFFAOYSA-N
XLogP4.63
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one 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

N-isopropyl-10H-phenothiazine-10-carboxamide
CID 704259
N-cyclohexyl-10H-phenothiazine-10-carboxamide
CID 705769
N-propyl-10H-phenothiazine-10-carboxamide
CID 1991974
N-butan-2-ylphenothiazine-10-carboxamide
CID 5150646
N-[2-(Piperidinyl)ethyl]-10H-phenothiazine-10-carboxamide
CID 9928503
N-[3-[4-(3-aminopropylamino)butylamino]propyl]phenothiazine-10-carboxamide
CID 44426121
N-[4-[3-(4-aminobutylamino)propylamino]butyl]phenothiazine-10-carboxamide
CID 44426122
N-{3-[methyl(phenyl)amino]propyl}-10H-phenothiazine-10-carboxamide
CID 46229162
N-[3-(dimethylamino)propyl]phenothiazine-10-carboxamide
CID 1973126
N-butyl-10H-phenothiazine-10-carboxamide
CID 12851056
N-[(1S)-1-(dimethylamino)ethyl]phenothiazine-10-carboxamide
CID 52941232
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 135407989

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one (CID 135418106) is 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)n1.
What is the InChIKey of 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is HKQZKQYGCHVCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-2-16-15-22(30)27-23(25-16)26-17-11-13-28(14-12-17)24(31)29-18-7-3-5-9-20(18)32-21-10-6-4-8-19(21)29/h3-10,15,17H,2,11-14H2,1H3,(H2,25,26,27,30).
What are the key properties of 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 447.56 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135418106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).