7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C25H30N6O3S — CID 126495537

IUPAC7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(OCCCN2CCOCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C25H30N6O3S/c1-17-23(24-22(35-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-6-5-19(13-21(20)32-3)34-10-4-7-31-8-11-33-12-9-31/h5-6,13-16H,4,7-12H2,1-3H3,(H,26,28,29)
InChIKeyUKXXEMQQQRIUIR-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.25
Rot. Bonds9

About 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495537) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495537
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC Name7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(OCCCN2CCOCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C25H30N6O3S/c1-17-23(24-22(35-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-6-5-19(13-21(20)32-3)34-10-4-7-31-8-11-33-12-9-31/h5-6,13-16H,4,7-12H2,1-3H3,(H,26,28,29)
InChIKeyUKXXEMQQQRIUIR-UHFFFAOYSA-N
XLogP4.25
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495537) is 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(OCCCN2CCOCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is UKXXEMQQQRIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-17-23(24-22(35-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-6-5-19(13-21(20)32-3)34-10-4-7-31-8-11-33-12-9-31/h5-6,13-16H,4,7-12H2,1-3H3,(H,26,28,29).
What are the key properties of 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 494.62 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).