5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H12ClN3OS — CID 9107022

IUPAC5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCON(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C14H12ClN3OS/c1-18(19-2)13-12-11(7-20-14(12)17-8-16-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyKDRWZYXXINRYAX-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.01
Rot. Bonds3

About 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9107022) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9107022
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCON(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C14H12ClN3OS/c1-18(19-2)13-12-11(7-20-14(12)17-8-16-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyKDRWZYXXINRYAX-UHFFFAOYSA-N
XLogP4.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 9107022) is 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine is CON(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KDRWZYXXINRYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-18(19-2)13-12-11(7-20-14(12)17-8-16-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9107022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).