5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

C18H21N5O2S — CID 100765313

IUPAC5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc([C@H](C)N3CCc4c(ncn(C)c4=O)C3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H21N5O2S/c1-9-11(3)26-17-14(9)16(24)20-15(21-17)10(2)23-6-5-12-13(7-23)19-8-22(4)18(12)25/h8,10H,5-7H2,1-4H3,(H,20,21,24)/t10-/m0/s1
InChIKeyZPGLCUZUNZEVCX-JTQLQIEISA-N
MW371.47 g/mol
LogP1.81
Rot. Bonds2

About 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 100765313) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID100765313
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc([C@H](C)N3CCc4c(ncn(C)c4=O)C3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H21N5O2S/c1-9-11(3)26-17-14(9)16(24)20-15(21-17)10(2)23-6-5-12-13(7-23)19-8-22(4)18(12)25/h8,10H,5-7H2,1-4H3,(H,20,21,24)/t10-/m0/s1
InChIKeyZPGLCUZUNZEVCX-JTQLQIEISA-N
XLogP1.81
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(4-ethylpiperazin-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 86976470
2-[(1R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 98938128
2-[1-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 111113875
N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55849785
2-[(1S)-1-[(3R)-3-hydroxypiperidin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 99850810
2-[(1R)-1-(4-benzylpiperazin-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9269859
2-[1-[3-(cyclopropylmethyl)-4-oxoimidazolidin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 146129076
5,6-dimethyl-2-[(1S)-1-[4-(2-methylanilino)piperidin-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 52506824
ethyl 1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-4-carboxylate
CID 51167935
2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 31379835
N-benzyl-2-[4-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide
CID 43039765
N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550028

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 100765313) is 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc([C@H](C)N3CCc4c(ncn(C)c4=O)C3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZPGLCUZUNZEVCX-JTQLQIEISA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-9-11(3)26-17-14(9)16(24)20-15(21-17)10(2)23-6-5-12-13(7-23)19-8-22(4)18(12)25/h8,10H,5-7H2,1-4H3,(H,20,21,24)/t10-/m0/s1.
What are the key properties of 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 371.47 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(1S)-1-(3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 100765313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).