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

C13H19N5OS — CID 103326512

IUPAC2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCc1cc2c(N(C)CC(=O)NC(C)C)nc(N)nc2s1
InChIInChI=1S/C13H19N5OS/c1-7(2)15-10(19)6-18(4)11-9-5-8(3)20-12(9)17-13(14)16-11/h5,7H,6H2,1-4H3,(H,15,19)(H2,14,16,17)
InChIKeyMHGHNKOJCASHBH-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.54
Rot. Bonds4

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

2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 103326512) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID103326512
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCc1cc2c(N(C)CC(=O)NC(C)C)nc(N)nc2s1
InChIInChI=1S/C13H19N5OS/c1-7(2)15-10(19)6-18(4)11-9-5-8(3)20-12(9)17-13(14)16-11/h5,7H,6H2,1-4H3,(H,15,19)(H2,14,16,17)
InChIKeyMHGHNKOJCASHBH-UHFFFAOYSA-N
XLogP1.54
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
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)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (CID 103326512) is 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is Cc1cc2c(N(C)CC(=O)NC(C)C)nc(N)nc2s1.
What is the InChIKey of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MHGHNKOJCASHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-7(2)15-10(19)6-18(4)11-9-5-8(3)20-12(9)17-13(14)16-11/h5,7H,6H2,1-4H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 293.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 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)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103326512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).