2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid

C16H16N4O2S — CID 166237581

IUPAC2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
SMILESCc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)O)c2c1C
InChIInChI=1S/C16H16N4O2S/c1-9-10(2)23-16-13(9)15(20(3)8-12(21)22)18-14(19-16)11-5-4-6-17-7-11/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyVMNKWCQDBNXNSS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.89
Rot. Bonds4

About 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 166237581) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
PubChem CID166237581
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
SMILESCc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)O)c2c1C
InChIInChI=1S/C16H16N4O2S/c1-9-10(2)23-16-13(9)15(20(3)8-12(21)22)18-14(19-16)11-5-4-6-17-7-11/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyVMNKWCQDBNXNSS-UHFFFAOYSA-N
XLogP2.89
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid with MolForge

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Related Compounds

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 166186006
N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166328871
N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166243723
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 166190654
N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166225267
N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 27632112
3-[methyl-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122059528
2-methyl-3-[methyl-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propanoic acid
CID 122064954
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064846
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
CID 17402660
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 154807100

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid (CID 166237581) is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid is Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)O)c2c1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is VMNKWCQDBNXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-10(2)23-16-13(9)15(20(3)8-12(21)22)18-14(19-16)11-5-4-6-17-7-11/h4-7H,8H2,1-3H3,(H,21,22).
What are the key properties of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid?
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 328.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 166237581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).