4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid

C14H19N3O2S — CID 102686030

IUPAC4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
SMILESCc1csc2c(NCC(CC(C)C)C(=O)O)ncnc12
InChIInChI=1S/C14H19N3O2S/c1-8(2)4-10(14(18)19)5-15-13-12-11(16-7-17-13)9(3)6-20-12/h6-8,10H,4-5H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyZHQMEXGFMGFVJU-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.16
Rot. Bonds6

About 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid

4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid (PubChem CID 102686030) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
PubChem CID102686030
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
SMILESCc1csc2c(NCC(CC(C)C)C(=O)O)ncnc12
InChIInChI=1S/C14H19N3O2S/c1-8(2)4-10(14(18)19)5-15-13-12-11(16-7-17-13)9(3)6-20-12/h6-8,10H,4-5H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyZHQMEXGFMGFVJU-UHFFFAOYSA-N
XLogP3.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid with MolForge

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Related Compounds

1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 102686608
N-butan-2-yl-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686318
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
N-methyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686363
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid (CID 102686030) is 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid is Cc1csc2c(NCC(CC(C)C)C(=O)O)ncnc12.
What is the InChIKey of 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid?
The InChIKey is ZHQMEXGFMGFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8(2)4-10(14(18)19)5-15-13-12-11(16-7-17-13)9(3)6-20-12/h6-8,10H,4-5H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid?
4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid has a molecular weight of 293.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 102686030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).