2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C12H14ClN3O2S2 — CID 103320730

IUPAC2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCS(=O)(=O)CC3)nc(Cl)nc2s1
InChIInChI=1S/C12H14ClN3O2S2/c1-7-6-9-10(15-12(13)16-11(9)19-7)14-8-2-4-20(17,18)5-3-8/h6,8H,2-5H2,1H3,(H,14,15,16)
InChIKeyYLZCXSMCZJARRC-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.64
Rot. Bonds2

About 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320730) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320730
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCS(=O)(=O)CC3)nc(Cl)nc2s1
InChIInChI=1S/C12H14ClN3O2S2/c1-7-6-9-10(15-12(13)16-11(9)19-7)14-8-2-4-20(17,18)5-3-8/h6,8H,2-5H2,1H3,(H,14,15,16)
InChIKeyYLZCXSMCZJARRC-UHFFFAOYSA-N
XLogP2.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321828
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320494
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324303
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103322101
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine
CID 63271422
N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 137431964
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 103322070
benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120001
5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80789758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103320730) is 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CCS(=O)(=O)CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YLZCXSMCZJARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-7-6-9-10(15-12(13)16-11(9)19-7)14-8-2-4-20(17,18)5-3-8/h6,8H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 331.85 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).