2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile

C10H10N4O2S — CID 57336362

IUPAC2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
SMILESCCCNc1sc2c(=O)[nH]c(=O)[nH]c2c1C#N
InChIInChI=1S/C10H10N4O2S/c1-2-3-12-9-5(4-11)6-7(17-9)8(15)14-10(16)13-6/h12H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZOSQAGRRWWANPR-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.97
Rot. Bonds3

About 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile

2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 57336362) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
PubChem CID57336362
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
SMILESCCCNc1sc2c(=O)[nH]c(=O)[nH]c2c1C#N
InChIInChI=1S/C10H10N4O2S/c1-2-3-12-9-5(4-11)6-7(17-9)8(15)14-10(16)13-6/h12H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZOSQAGRRWWANPR-UHFFFAOYSA-N
XLogP0.97
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzylamino)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 57336363
6-[(2,6-dichlorophenyl)methylsulfanyl]-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 6501925
N-(4-chlorophenyl)-2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 6499526
2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7444483
2,4-dioxo-6-(pyridin-2-ylmethylsulfanyl)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 6499489
(10S)-12-amino-10-(4-chlorophenyl)-4-(ethylamino)-8-oxo-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile
CID 26415370
2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 6499514
2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 6499524
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 6499501
2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 6499544
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
2,4-dioxo-6-sulfanyl-1H-pyrimidine-5-carbonitrile
CID 87113714

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile (CID 57336362) is 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile is CCCNc1sc2c(=O)[nH]c(=O)[nH]c2c1C#N.
What is the InChIKey of 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is ZOSQAGRRWWANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-2-3-12-9-5(4-11)6-7(17-9)8(15)14-10(16)13-6/h12H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile?
2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 250.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-6-(propylamino)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 57336362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).