4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine

C12H16N2S — CID 137379847

IUPAC4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine
SMILESCCCC(C)(C)c1ncnc2sccc12
InChIInChI=1S/C12H16N2S/c1-4-6-12(2,3)10-9-5-7-15-11(9)14-8-13-10/h5,7-8H,4,6H2,1-3H3
InChIKeyDQNHQJWCKXXNNA-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.77
Rot. Bonds3

About 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine

4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 137379847) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine
PubChem CID137379847
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine
SMILESCCCC(C)(C)c1ncnc2sccc12
InChIInChI=1S/C12H16N2S/c1-4-6-12(2,3)10-9-5-7-15-11(9)14-8-13-10/h5,7-8H,4,6H2,1-3H3
InChIKeyDQNHQJWCKXXNNA-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol
CID 162653543
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
4-(2-chloro-3,3-dimethylbutyl)thieno[2,3-d]pyrimidine
CID 63202692
2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79662112
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80673016
1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine
CID 63197779
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
diethyl 2-thieno[2,3-d]pyrimidin-4-ylpropanedioate
CID 104573514

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine (CID 137379847) is 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine is CCCC(C)(C)c1ncnc2sccc12.
What is the InChIKey of 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is DQNHQJWCKXXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-6-12(2,3)10-9-5-7-15-11(9)14-8-13-10/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine?
4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 220.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 137379847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).