2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine

C15H18N6OS — CID 46944015

IUPAC2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1
InChIInChI=1S/C15H18N6OS/c1-10-7-18-11(8-17-10)9-19-14-13-12(3-6-23-13)20-15(21-14)16-4-5-22-2/h3,6-8H,4-5,9H2,1-2H3,(H2,16,19,20,21)
InChIKeySRLVFZVOJORASU-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.46
Rot. Bonds7

About 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46944015) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46944015
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1
InChIInChI=1S/C15H18N6OS/c1-10-7-18-11(8-17-10)9-19-14-13-12(3-6-23-13)20-15(21-14)16-4-5-22-2/h3,6-8H,4-5,9H2,1-2H3,(H2,16,19,20,21)
InChIKeySRLVFZVOJORASU-UHFFFAOYSA-N
XLogP2.46
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 46944015) is 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is SRLVFZVOJORASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-10-7-18-11(8-17-10)9-19-14-13-12(3-6-23-13)20-15(21-14)16-4-5-22-2/h3,6-8H,4-5,9H2,1-2H3,(H2,16,19,20,21).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 330.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-[(5-methylpyrazin-2-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46944015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).