6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C18H14ClN3OS — CID 45274330

IUPAC6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1
InChIInChI=1S/C18H14ClN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22)
InChIKeyMYJRPHGICROETI-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.09
Rot. Bonds3

About 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274330) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274330
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1
InChIInChI=1S/C18H14ClN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22)
InChIKeyMYJRPHGICROETI-UHFFFAOYSA-N
XLogP5.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45274330) is 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MYJRPHGICROETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22).
What are the key properties of 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.85 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).