2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine

C18H18N4OS — CID 75413622

IUPAC2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N/N=C/C2CCOC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H18N4OS/c1-12-20-17(22-19-10-13-7-8-23-11-13)15-9-16(24-18(15)21-12)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,20,21,22)/b19-10+
InChIKeyPZUBFYANPQPPJG-VXLYETTFSA-N
MW338.44 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine

2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 75413622) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID75413622
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N/N=C/C2CCOC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H18N4OS/c1-12-20-17(22-19-10-13-7-8-23-11-13)15-9-16(24-18(15)21-12)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,20,21,22)/b19-10+
InChIKeyPZUBFYANPQPPJG-VXLYETTFSA-N
XLogP4.10
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 75413622) is 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(N/N=C/C2CCOC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PZUBFYANPQPPJG-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-20-17(22-19-10-13-7-8-23-11-13)15-9-16(24-18(15)21-12)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,20,21,22)/b19-10+.
What are the key properties of 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75413622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).