N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H16N4OS — CID 138030024

IUPACN-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cncc(CNc2nc(C)nc3scc(C)c23)c1
InChIInChI=1S/C15H16N4OS/c1-9-8-21-15-13(9)14(18-10(2)19-15)17-6-11-4-12(20-3)7-16-5-11/h4-5,7-8H,6H2,1-3H3,(H,17,18,19)
InChIKeyVDHQLOBDMCRTNX-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.32
Rot. Bonds4

About N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 138030024) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID138030024
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cncc(CNc2nc(C)nc3scc(C)c23)c1
InChIInChI=1S/C15H16N4OS/c1-9-8-21-15-13(9)14(18-10(2)19-15)17-6-11-4-12(20-3)7-16-5-11/h4-5,7-8H,6H2,1-3H3,(H,17,18,19)
InChIKeyVDHQLOBDMCRTNX-UHFFFAOYSA-N
XLogP3.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
N-(2-methoxy-3,3-dimethylbutyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133484980
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 75510060
5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione
CID 154772434
2,5-dimethyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 154788088
ethyl 4-[(3-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26442056
N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
CID 69114857
N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 141056385
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 171677233
2,5-dimethyl-N-(2-methyl-4-methylsulfonylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133484650
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate
CID 150215711

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 138030024) is N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1cncc(CNc2nc(C)nc3scc(C)c23)c1.
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VDHQLOBDMCRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-8-21-15-13(9)14(18-10(2)19-15)17-6-11-4-12(20-3)7-16-5-11/h4-5,7-8H,6H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138030024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).