N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide

C18H18ClN3O3S — CID 58056233

IUPACN-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(C)(CCO)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C18H18ClN3O3S/c1-18(2,5-6-23)25-14-4-3-11(19)7-13(14)22-17(24)12-9-26-15-8-20-10-21-16(12)15/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,24)
InChIKeyNMWMSILCMHNULF-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.14
Rot. Bonds6

About N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056233) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056233
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(C)(CCO)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C18H18ClN3O3S/c1-18(2,5-6-23)25-14-4-3-11(19)7-13(14)22-17(24)12-9-26-15-8-20-10-21-16(12)15/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,24)
InChIKeyNMWMSILCMHNULF-UHFFFAOYSA-N
XLogP4.14
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056233) is N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is CC(C)(CCO)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is NMWMSILCMHNULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-18(2,5-6-23)25-14-4-3-11(19)7-13(14)22-17(24)12-9-26-15-8-20-10-21-16(12)15/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).