4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine

C19H16ClN7OS — CID 11836171

IUPAC4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
SMILESClc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccs2)cc1
InChIInChI=1S/C19H16ClN7OS/c20-13-3-5-14(6-4-13)27-18(23-24-25-27)15-12-21-19(26-7-9-28-10-8-26)22-17(15)16-2-1-11-29-16/h1-6,11-12H,7-10H2
InChIKeyKTEDHWHKPFHUCC-UHFFFAOYSA-N
MW425.91 g/mol
LogP3.34
Rot. Bonds4

About 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine

4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine (PubChem CID 11836171) has the molecular formula C19H16ClN7OS and a molecular weight of 425.91 g/mol. Its IUPAC name is 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
PubChem CID11836171
Molecular FormulaC19H16ClN7OS
Molecular Weight425.91 g/mol
Exact Mass425.08
IUPAC Name4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
SMILESClc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccs2)cc1
InChIInChI=1S/C19H16ClN7OS/c20-13-3-5-14(6-4-13)27-18(23-24-25-27)15-12-21-19(26-7-9-28-10-8-26)22-17(15)16-2-1-11-29-16/h1-6,11-12H,7-10H2
InChIKeyKTEDHWHKPFHUCC-UHFFFAOYSA-N
XLogP3.34
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine (CID 11836171) is 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine is Clc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccs2)cc1.
What is the InChIKey of 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine?
The InChIKey is KTEDHWHKPFHUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7OS/c20-13-3-5-14(6-4-13)27-18(23-24-25-27)15-12-21-19(26-7-9-28-10-8-26)22-17(15)16-2-1-11-29-16/h1-6,11-12H,7-10H2.
What are the key properties of 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine?
4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine has a molecular weight of 425.91 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 11836171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).