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2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide

C12H15ClN4OS — CID 103320605

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
SMILESCc1cc2c(N(C)CC(=O)N(C)C)nc(Cl)nc2s1
InChIInChI=1S/C12H15ClN4OS/c1-7-5-8-10(14-12(13)15-11(8)19-7)17(4)6-9(18)16(2)3/h5H,6H2,1-4H3
InChIKeyNISGMAIQYHIQLA-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.18
Rot. Bonds3

About 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 103320605) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID103320605
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
SMILESCc1cc2c(N(C)CC(=O)N(C)C)nc(Cl)nc2s1
InChIInChI=1S/C12H15ClN4OS/c1-7-5-8-10(14-12(13)15-11(8)19-7)17(4)6-9(18)16(2)3/h5H,6H2,1-4H3
InChIKeyNISGMAIQYHIQLA-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide (CID 103320605) is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide is Cc1cc2c(N(C)CC(=O)N(C)C)nc(Cl)nc2s1.
What is the InChIKey of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is NISGMAIQYHIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-7-5-8-10(14-12(13)15-11(8)19-7)17(4)6-9(18)16(2)3/h5H,6H2,1-4H3.
What are the key properties of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 298.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 103320605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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