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

C19H18ClN3O3S — CID 58056288

IUPACN-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1csc2cncnc12
InChIInChI=1S/C19H18ClN3O3S/c20-11-1-6-16(26-13-4-2-12(24)3-5-13)15(7-11)23-19(25)14-9-27-17-8-21-10-22-18(14)17/h1,6-10,12-13,24H,2-5H2,(H,23,25)
InChIKeyMUYFQIQEBJQOGI-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.28
Rot. Bonds4

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

N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056288) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056288
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1csc2cncnc12
InChIInChI=1S/C19H18ClN3O3S/c20-11-1-6-16(26-13-4-2-12(24)3-5-13)15(7-11)23-19(25)14-9-27-17-8-21-10-22-18(14)17/h1,6-10,12-13,24H,2-5H2,(H,23,25)
InChIKeyMUYFQIQEBJQOGI-UHFFFAOYSA-N
XLogP4.28
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.28
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-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056288) is N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1csc2cncnc12.
What is the InChIKey of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MUYFQIQEBJQOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-11-1-6-16(26-13-4-2-12(24)3-5-13)15(7-11)23-19(25)14-9-27-17-8-21-10-22-18(14)17/h1,6-10,12-13,24H,2-5H2,(H,23,25).
What are the key properties of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.28, 4 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-hydroxycyclohexyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).