2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide

C12H15N5OS — CID 103325110

IUPAC2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCc1cc2c(NCC(=O)NC3CC3)nc(N)nc2s1
InChIInChI=1S/C12H15N5OS/c1-6-4-8-10(16-12(13)17-11(8)19-6)14-5-9(18)15-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,15,18)(H3,13,14,16,17)
InChIKeyWLZAUQZMSYDTES-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.27
Rot. Bonds4

About 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 103325110) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID103325110
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCc1cc2c(NCC(=O)NC3CC3)nc(N)nc2s1
InChIInChI=1S/C12H15N5OS/c1-6-4-8-10(16-12(13)17-11(8)19-6)14-5-9(18)15-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,15,18)(H3,13,14,16,17)
InChIKeyWLZAUQZMSYDTES-UHFFFAOYSA-N
XLogP1.27
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 103325110) is 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide is Cc1cc2c(NCC(=O)NC3CC3)nc(N)nc2s1.
What is the InChIKey of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is WLZAUQZMSYDTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-6-4-8-10(16-12(13)17-11(8)19-6)14-5-9(18)15-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,15,18)(H3,13,14,16,17).
What are the key properties of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 103325110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).