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

C23H23N5O2S — CID 136881905

IUPAC4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)n1
InChIInChI=1S/C23H23N5O2S/c1-15-14-21(29)26-22(24-15)25-16-10-12-27(13-11-16)23(30)28-17-6-2-4-8-19(17)31-20-9-5-3-7-18(20)28/h2-9,14,16H,10-13H2,1H3,(H2,24,25,26,29)
InChIKeyHPONPWNRXIRPSJ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.38
Rot. Bonds2

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

4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136881905) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136881905
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)n1
InChIInChI=1S/C23H23N5O2S/c1-15-14-21(29)26-22(24-15)25-16-10-12-27(13-11-16)23(30)28-17-6-2-4-8-19(17)31-20-9-5-3-7-18(20)28/h2-9,14,16H,10-13H2,1H3,(H2,24,25,26,29)
InChIKeyHPONPWNRXIRPSJ-UHFFFAOYSA-N
XLogP4.38
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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
6-Ethyl-2-{[1-(phenothiazine-10-carbonyl)piperidin-4-YL]amino}-3H-pyrimidin-4-one
CID 135418106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one (CID 136881905) is 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)n1.
What is the InChIKey of 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is HPONPWNRXIRPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15-14-21(29)26-22(24-15)25-16-10-12-27(13-11-16)23(30)28-17-6-2-4-8-19(17)31-20-9-5-3-7-18(20)28/h2-9,14,16H,10-13H2,1H3,(H2,24,25,26,29).
What are the key properties of 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 433.54 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136881905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).