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

C12H15ClN4OS — CID 103320605

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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Related Compounds

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320677
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547
2-chloro-N-(furan-3-ylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103320853
2-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103326326
2-chloro-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322056
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 103324793
2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103326513
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 103326512

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).