2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H16ClN3O2S — CID 114268180

IUPAC2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1(=O)CCc2nc(Cl)nc(NC3CCCCC3)c21
InChIInChI=1S/C12H16ClN3O2S/c13-12-15-9-6-7-19(17,18)10(9)11(16-12)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,16)
InChIKeyIPVOEMOEIGEJBH-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.20
Rot. Bonds2

About 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 114268180) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID114268180
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1(=O)CCc2nc(Cl)nc(NC3CCCCC3)c21
InChIInChI=1S/C12H16ClN3O2S/c13-12-15-9-6-7-19(17,18)10(9)11(16-12)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,16)
InChIKeyIPVOEMOEIGEJBH-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 82460740
2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 114268193
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 130505615
2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine
CID 145224442
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
2-chloro-N-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 114268180) is 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1(=O)CCc2nc(Cl)nc(NC3CCCCC3)c21.
What is the InChIKey of 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IPVOEMOEIGEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c13-12-15-9-6-7-19(17,18)10(9)11(16-12)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15,16).
What are the key properties of 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 301.80 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114268180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).