2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C14H21N3O2S2 — CID 133484650

IUPAC2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)(C)CCS(C)(=O)=O)c2c(C)csc2n1
InChIInChI=1S/C14H21N3O2S2/c1-9-8-20-13-11(9)12(15-10(2)16-13)17-14(3,4)6-7-21(5,18)19/h8H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyWWLOXKCCWSKMRO-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.93
Rot. Bonds5

About 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133484650) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133484650
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)(C)CCS(C)(=O)=O)c2c(C)csc2n1
InChIInChI=1S/C14H21N3O2S2/c1-9-8-20-13-11(9)12(15-10(2)16-13)17-14(3,4)6-7-21(5,18)19/h8H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyWWLOXKCCWSKMRO-UHFFFAOYSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 133491144
N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133484980
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 75510060
5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 167874941
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
CID 133492838
4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 133491020
5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione
CID 154772434
2,5-dimethyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 154788088
N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 138030024
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol
CID 75457587
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133484650) is 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC(C)(C)CCS(C)(=O)=O)c2c(C)csc2n1.
What is the InChIKey of 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WWLOXKCCWSKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-9-8-20-13-11(9)12(15-10(2)16-13)17-14(3,4)6-7-21(5,18)19/h8H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133484650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).