N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

C24H22N6OS — CID 137429711

IUPACN-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccncc3)c12
InChIInChI=1S/C24H22N6OS/c1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(16-8-10-25-11-9-16)20(32-24(19)29-22)17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3,(H,26,28,29)
InChIKeyMWPIECIIJGKBKF-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.88
Rot. Bonds7

About N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 137429711) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID137429711
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC NameN-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccncc3)c12
InChIInChI=1S/C24H22N6OS/c1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(16-8-10-25-11-9-16)20(32-24(19)29-22)17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3,(H,26,28,29)
InChIKeyMWPIECIIJGKBKF-UHFFFAOYSA-N
XLogP4.88
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 137429711) is N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccncc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MWPIECIIJGKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(16-8-10-25-11-9-16)20(32-24(19)29-22)17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3,(H,26,28,29).
What are the key properties of N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 442.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137429711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).