2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine

C14H21N3OS — CID 62193252

IUPAC2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCCOCc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H21N3OS/c1-2-3-4-5-6-8-18-10-12-16-13(15)11-7-9-19-14(11)17-12/h7,9H,2-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyJVTPFWCPIALQSK-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.76
Rot. Bonds8

About 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine

2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193252) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62193252
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCCOCc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H21N3OS/c1-2-3-4-5-6-8-18-10-12-16-13(15)11-7-9-19-14(11)17-12/h7,9H,2-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyJVTPFWCPIALQSK-UHFFFAOYSA-N
XLogP3.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62193252) is 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine is CCCCCCCOCc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JVTPFWCPIALQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-3-4-5-6-8-18-10-12-16-13(15)11-7-9-19-14(11)17-12/h7,9H,2-6,8,10H2,1H3,(H2,15,16,17).
What are the key properties of 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).