N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C16H17N3O2S — CID 4783172

IUPACN-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1ncnc2sc(-c3ccccc3)cc12)OC
InChIInChI=1S/C16H17N3O2S/c1-20-14(21-2)9-17-15-12-8-13(11-6-4-3-5-7-11)22-16(12)19-10-18-15/h3-8,10,14H,9H2,1-2H3,(H,17,18,19)
InChIKeyUYSFQOYKHDHVCS-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.39
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4783172) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4783172
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1ncnc2sc(-c3ccccc3)cc12)OC
InChIInChI=1S/C16H17N3O2S/c1-20-14(21-2)9-17-15-12-8-13(11-6-4-3-5-7-11)22-16(12)19-10-18-15/h3-8,10,14H,9H2,1-2H3,(H,17,18,19)
InChIKeyUYSFQOYKHDHVCS-UHFFFAOYSA-N
XLogP3.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 4783172) is N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is COC(CNc1ncnc2sc(-c3ccccc3)cc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UYSFQOYKHDHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-20-14(21-2)9-17-15-12-8-13(11-6-4-3-5-7-11)22-16(12)19-10-18-15/h3-8,10,14H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 315.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4783172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).