N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C27H29N7O2S — CID 164585067

IUPACN-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCn1ccnc1-c1nc(NC2CC(OC)C2)c2c(-c3ccccc3)c(-c3ccn(C)n3)sc2n1
InChIInChI=1S/C27H29N7O2S/c1-33-11-9-20(32-33)23-21(17-7-5-4-6-8-17)22-24(29-18-15-19(16-18)36-3)30-25(31-27(22)37-23)26-28-10-12-34(26)13-14-35-2/h4-12,18-19H,13-16H2,1-3H3,(H,29,30,31)
InChIKeyVBPOFMZEJPSMEO-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.86
Rot. Bonds9

About N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 164585067) has the molecular formula C27H29N7O2S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID164585067
Molecular FormulaC27H29N7O2S
Molecular Weight515.64 g/mol
Exact Mass515.21
IUPAC NameN-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCn1ccnc1-c1nc(NC2CC(OC)C2)c2c(-c3ccccc3)c(-c3ccn(C)n3)sc2n1
InChIInChI=1S/C27H29N7O2S/c1-33-11-9-20(32-33)23-21(17-7-5-4-6-8-17)22-24(29-18-15-19(16-18)36-3)30-25(31-27(22)37-23)26-28-10-12-34(26)13-14-35-2/h4-12,18-19H,13-16H2,1-3H3,(H,29,30,31)
InChIKeyVBPOFMZEJPSMEO-UHFFFAOYSA-N
XLogP4.86
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 164585067) is N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCCn1ccnc1-c1nc(NC2CC(OC)C2)c2c(-c3ccccc3)c(-c3ccn(C)n3)sc2n1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VBPOFMZEJPSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2S/c1-33-11-9-20(32-33)23-21(17-7-5-4-6-8-17)22-24(29-18-15-19(16-18)36-3)30-25(31-27(22)37-23)26-28-10-12-34(26)13-14-35-2/h4-12,18-19H,13-16H2,1-3H3,(H,29,30,31).
What are the key properties of N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 515.64 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-6-(1-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164585067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).