7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C24H28N6O2S — CID 126495620

IUPAC7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(OCCCN2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C24H28N6O2S/c1-16-22(23-21(33-16)14-25-24(28-23)27-17-13-26-29(2)15-17)19-7-6-18(12-20(19)31-3)32-11-5-10-30-8-4-9-30/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,25,27,28)
InChIKeySCOKEAPUIFOABN-UHFFFAOYSA-N
MW464.60 g/mol
LogP4.63
Rot. Bonds9

About 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495620) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495620
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(OCCCN2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C24H28N6O2S/c1-16-22(23-21(33-16)14-25-24(28-23)27-17-13-26-29(2)15-17)19-7-6-18(12-20(19)31-3)32-11-5-10-30-8-4-9-30/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,25,27,28)
InChIKeySCOKEAPUIFOABN-UHFFFAOYSA-N
XLogP4.63
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495620) is 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(OCCCN2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is SCOKEAPUIFOABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-22(23-21(33-16)14-25-24(28-23)27-17-13-26-29(2)15-17)19-7-6-18(12-20(19)31-3)32-11-5-10-30-8-4-9-30/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,25,27,28).
What are the key properties of 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 464.60 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(azetidin-1-yl)propoxy]-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).