N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide

C19H19ClN4O2S — CID 58056086

IUPACN-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNC1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-11-1-6-16(26-13-4-2-12(21)3-5-13)15(7-11)24-19(25)14-9-27-17-8-22-10-23-18(14)17/h1,6-10,12-13H,2-5,21H2,(H,24,25)
InChIKeyDCYIETGZKOBSIJ-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.25
Rot. Bonds4

About N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056086) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056086
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNC1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-11-1-6-16(26-13-4-2-12(21)3-5-13)15(7-11)24-19(25)14-9-27-17-8-22-10-23-18(14)17/h1,6-10,12-13H,2-5,21H2,(H,24,25)
InChIKeyDCYIETGZKOBSIJ-UHFFFAOYSA-N
XLogP4.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056086) is N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide is NC1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is DCYIETGZKOBSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-11-1-6-16(26-13-4-2-12(21)3-5-13)15(7-11)24-19(25)14-9-27-17-8-22-10-23-18(14)17/h1,6-10,12-13H,2-5,21H2,(H,24,25).
What are the key properties of N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 402.91 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxy-5-chlorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).