N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C16H22N4OS2 — CID 119575128

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(=O)NC(C)(CN)C3CC3)c2c1C
InChIInChI=1S/C16H22N4OS2/c1-9-10(2)23-15-13(9)14(18-8-19-15)22-6-12(21)20-16(3,7-17)11-4-5-11/h8,11H,4-7,17H2,1-3H3,(H,20,21)
InChIKeyXSCSNKJIBWHGAY-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.64
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 119575128) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID119575128
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(=O)NC(C)(CN)C3CC3)c2c1C
InChIInChI=1S/C16H22N4OS2/c1-9-10(2)23-15-13(9)14(18-8-19-15)22-6-12(21)20-16(3,7-17)11-4-5-11/h8,11H,4-7,17H2,1-3H3,(H,20,21)
InChIKeyXSCSNKJIBWHGAY-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 119575128) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1sc2ncnc(SCC(=O)NC(C)(CN)C3CC3)c2c1C.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is XSCSNKJIBWHGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-9-10(2)23-15-13(9)14(18-8-19-15)22-6-12(21)20-16(3,7-17)11-4-5-11/h8,11H,4-7,17H2,1-3H3,(H,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 350.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 119575128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).