3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione

C11H10N4O2S — CID 164549992

IUPAC3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)[nH]c3sccc3c2=O)cn1
InChIInChI=1S/C11H10N4O2S/c1-14-5-7(4-12-14)6-15-10(16)8-2-3-18-9(8)13-11(15)17/h2-5H,6H2,1H3,(H,13,17)
InChIKeyDGXNRKPQNABPFA-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.53
Rot. Bonds2

About 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 164549992) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID164549992
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)[nH]c3sccc3c2=O)cn1
InChIInChI=1S/C11H10N4O2S/c1-14-5-7(4-12-14)6-15-10(16)8-2-3-18-9(8)13-11(15)17/h2-5H,6H2,1H3,(H,13,17)
InChIKeyDGXNRKPQNABPFA-UHFFFAOYSA-N
XLogP0.53
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750778
2-[4-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750813
2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750815
2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750867
1-methyl-6-[4-(thiophene-3-carbonyl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136263621
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxamide
CID 132374347
1-(4-Fluoropent-4-enyl)-6-[(1-methylcyclopropyl)amino]sulfanyl-3-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 170347685
6-methyl-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
CID 3251158
5-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 129100527
5-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 129101231
N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide
CID 129101244
(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide
CID 129101312

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 164549992) is 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cn1cc(Cn2c(=O)[nH]c3sccc3c2=O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DGXNRKPQNABPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-14-5-7(4-12-14)6-15-10(16)8-2-3-18-9(8)13-11(15)17/h2-5H,6H2,1H3,(H,13,17).
What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 262.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 164549992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).