N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide

C13H18N4OS — CID 102686608

IUPACN-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1csc2c(NCC(=O)NC(C)(C)C)ncnc12
InChIInChI=1S/C13H18N4OS/c1-8-6-19-11-10(8)15-7-16-12(11)14-5-9(18)17-13(2,3)4/h6-7H,5H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyHQYJPOVPJDQXSY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.33
Rot. Bonds3

About N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 102686608) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
PubChem CID102686608
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1csc2c(NCC(=O)NC(C)(C)C)ncnc12
InChIInChI=1S/C13H18N4OS/c1-8-6-19-11-10(8)15-7-16-12(11)14-5-9(18)17-13(2,3)4/h6-7H,5H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyHQYJPOVPJDQXSY-UHFFFAOYSA-N
XLogP2.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
N-butan-2-yl-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686318
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 102686030
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide (CID 102686608) is N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide is Cc1csc2c(NCC(=O)NC(C)(C)C)ncnc12.
What is the InChIKey of N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is HQYJPOVPJDQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-6-19-11-10(8)15-7-16-12(11)14-5-9(18)17-13(2,3)4/h6-7H,5H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 102686608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).