5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C16H22N6S3 — CID 56521464

IUPAC5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C(C)Sc3nnc(NCC(C)C)s3)nc(N)c2c1C
InChIInChI=1S/C16H22N6S3/c1-7(2)6-18-15-21-22-16(25-15)24-10(5)13-19-12(17)11-8(3)9(4)23-14(11)20-13/h7,10H,6H2,1-5H3,(H,18,21)(H2,17,19,20)
InChIKeyGZJDKIAXAZUBBT-UHFFFAOYSA-N
MW394.60 g/mol
LogP4.66
Rot. Bonds6

About 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 56521464) has the molecular formula C16H22N6S3 and a molecular weight of 394.60 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID56521464
Molecular FormulaC16H22N6S3
Molecular Weight394.60 g/mol
Exact Mass394.11
IUPAC Name5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C(C)Sc3nnc(NCC(C)C)s3)nc(N)c2c1C
InChIInChI=1S/C16H22N6S3/c1-7(2)6-18-15-21-22-16(25-15)24-10(5)13-19-12(17)11-8(3)9(4)23-14(11)20-13/h7,10H,6H2,1-5H3,(H,18,21)(H2,17,19,20)
InChIKeyGZJDKIAXAZUBBT-UHFFFAOYSA-N
XLogP4.66
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-[1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 56520695
2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 51280065
2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 71899775
2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 40973732
N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43054798
2-[1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 55483898
5,6-dimethyl-2-[(1S)-1-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 7789398
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 169049669
2-[1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 55483538
2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066592
3-[1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethylsulfanyl]-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 55483899

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 56521464) is 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(C(C)Sc3nnc(NCC(C)C)s3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GZJDKIAXAZUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S3/c1-7(2)6-18-15-21-22-16(25-15)24-10(5)13-19-12(17)11-8(3)9(4)23-14(11)20-13/h7,10H,6H2,1-5H3,(H,18,21)(H2,17,19,20).
What are the key properties of 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 394.60 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56521464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).