6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C20H18N4OS — CID 59278040

IUPAC6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccnc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1
InChIInChI=1S/C20H18N4OS/c1-12-5-3-6-13(9-12)19-23-18(21)15-10-14(26-20(15)24-19)11-16-17(25-2)7-4-8-22-16/h3-10H,11H2,1-2H3,(H2,21,23,24)
InChIKeyZBXJWDFZNQDWFU-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.24
Rot. Bonds4

About 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59278040) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59278040
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccnc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1
InChIInChI=1S/C20H18N4OS/c1-12-5-3-6-13(9-12)19-23-18(21)15-10-14(26-20(15)24-19)11-16-17(25-2)7-4-8-22-16/h3-10H,11H2,1-2H3,(H2,21,23,24)
InChIKeyZBXJWDFZNQDWFU-UHFFFAOYSA-N
XLogP4.24
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 59278040) is 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1cccnc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1.
What is the InChIKey of 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZBXJWDFZNQDWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-12-5-3-6-13(9-12)19-23-18(21)15-10-14(26-20(15)24-19)11-16-17(25-2)7-4-8-22-16/h3-10H,11H2,1-2H3,(H2,21,23,24).
What are the key properties of 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 362.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59278040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).