4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C14H15N5OS — CID 103327524

IUPAC4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(N)nc3sc(C)cc23)cn1
InChIInChI=1S/C14H15N5OS/c1-8-5-10-12(18-14(15)19-13(10)21-8)17-7-9-3-4-11(20-2)16-6-9/h3-6H,7H2,1-2H3,(H3,15,17,18,19)
InChIKeyPQUVYCMGVVPEME-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.60
Rot. Bonds4

About 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327524) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327524
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(N)nc3sc(C)cc23)cn1
InChIInChI=1S/C14H15N5OS/c1-8-5-10-12(18-14(15)19-13(10)21-8)17-7-9-3-4-11(20-2)16-6-9/h3-6H,7H2,1-2H3,(H3,15,17,18,19)
InChIKeyPQUVYCMGVVPEME-UHFFFAOYSA-N
XLogP2.60
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
CID 103327161
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
4-N-(1-methoxy-2-methylpropan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330005
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106041359
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327524) is 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is COc1ccc(CNc2nc(N)nc3sc(C)cc23)cn1.
What is the InChIKey of 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PQUVYCMGVVPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-5-10-12(18-14(15)19-13(10)21-8)17-7-9-3-4-11(20-2)16-6-9/h3-6H,7H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 301.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).