1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione

C11H14N2O3S — CID 112750493

IUPAC1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)(O)CCn1c(=O)[nH]c(=O)c2sccc21
InChIInChI=1S/C11H14N2O3S/c1-11(2,16)4-5-13-7-3-6-17-8(7)9(14)12-10(13)15/h3,6,16H,4-5H2,1-2H3,(H,12,14,15)
InChIKeyKHJPHEBFEQQVNK-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.91
Rot. Bonds3

About 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione

1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 112750493) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID112750493
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)(O)CCn1c(=O)[nH]c(=O)c2sccc21
InChIInChI=1S/C11H14N2O3S/c1-11(2,16)4-5-13-7-3-6-17-8(7)9(14)12-10(13)15/h3,6,16H,4-5H2,1-2H3,(H,12,14,15)
InChIKeyKHJPHEBFEQQVNK-UHFFFAOYSA-N
XLogP0.91
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 14672209
ethyl 3-(2,4-dioxothieno[3,2-d]pyrimidin-1-yl)propanoate
CID 112750457
1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 112750606
3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 2732863
1-methyl-3H-thieno[2,3-d]imidazol-2-one
CID 15470967
3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686617
6-amino-4-chloro-1,3-bis(3-hydroxy-3-methylbutyl)benzimidazol-2-one
CID 142478651
2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049005
12-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 111332613
7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
CID 164950352
3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56771750
1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione
CID 90084411

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 112750493) is 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione is CC(C)(O)CCn1c(=O)[nH]c(=O)c2sccc21.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is KHJPHEBFEQQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-11(2,16)4-5-13-7-3-6-17-8(7)9(14)12-10(13)15/h3,6,16H,4-5H2,1-2H3,(H,12,14,15).
What are the key properties of 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 254.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 112750493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).