2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide

C14H21N5OS — CID 62208923

IUPAC2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H21N5OS/c1-5-16-11(20)7-19(4)6-10-17-13(15)12-8(2)9(3)21-14(12)18-10/h5-7H2,1-4H3,(H,16,20)(H2,15,17,18)
InChIKeyKFDMHYPYGVHLRM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.46
Rot. Bonds5

About 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide (PubChem CID 62208923) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
PubChem CID62208923
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H21N5OS/c1-5-16-11(20)7-19(4)6-10-17-13(15)12-8(2)9(3)21-14(12)18-10/h5-7H2,1-4H3,(H,16,20)(H2,15,17,18)
InChIKeyKFDMHYPYGVHLRM-UHFFFAOYSA-N
XLogP1.46
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide (CID 62208923) is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)Cc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is KFDMHYPYGVHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-16-11(20)7-19(4)6-10-17-13(15)12-8(2)9(3)21-14(12)18-10/h5-7H2,1-4H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide?
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 307.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62208923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).