2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H19N5S2 — CID 71899775

IUPAC2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C(C)Sc3nccn3C3CC3)nc(N)c2c1C
InChIInChI=1S/C16H19N5S2/c1-8-9(2)22-15-12(8)13(17)19-14(20-15)10(3)23-16-18-6-7-21(16)11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H2,17,19,20)
InChIKeyBBENNHHSJIMACE-UHFFFAOYSA-N
MW345.50 g/mol
LogP4.28
Rot. Bonds4

About 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 71899775) has the molecular formula C16H19N5S2 and a molecular weight of 345.50 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID71899775
Molecular FormulaC16H19N5S2
Molecular Weight345.50 g/mol
Exact Mass345.11
IUPAC Name2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C(C)Sc3nccn3C3CC3)nc(N)c2c1C
InChIInChI=1S/C16H19N5S2/c1-8-9(2)22-15-12(8)13(17)19-14(20-15)10(3)23-16-18-6-7-21(16)11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H2,17,19,20)
InChIKeyBBENNHHSJIMACE-UHFFFAOYSA-N
XLogP4.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 71899775) is 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(C(C)Sc3nccn3C3CC3)nc(N)c2c1C.
What is the InChIKey of 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BBENNHHSJIMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S2/c1-8-9(2)22-15-12(8)13(17)19-14(20-15)10(3)23-16-18-6-7-21(16)11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H2,17,19,20).
What are the key properties of 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 345.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylimidazol-2-yl)sulfanylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71899775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).