2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol

C23H33N9O2 — CID 11532851

IUPAC2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(CCO)CC2)o1
InChIInChI=1S/C23H33N9O2/c1-2-6-25-21-19(16-27-23(28-21)26-9-5-18-3-7-24-8-4-18)22-30-29-20(34-22)17-32-12-10-31(11-13-32)14-15-33/h3-4,7-8,16,33H,2,5-6,9-15,17H2,1H3,(H2,25,26,27,28)
InChIKeyNVNJMPRRWFYMAS-UHFFFAOYSA-N
MW467.58 g/mol
LogP1.51
Rot. Bonds12

About 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 11532851) has the molecular formula C23H33N9O2 and a molecular weight of 467.58 g/mol. Its IUPAC name is 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
PubChem CID11532851
Molecular FormulaC23H33N9O2
Molecular Weight467.58 g/mol
Exact Mass467.28
IUPAC Name2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(CCO)CC2)o1
InChIInChI=1S/C23H33N9O2/c1-2-6-25-21-19(16-27-23(28-21)26-9-5-18-3-7-24-8-4-18)22-30-29-20(34-22)17-32-12-10-31(11-13-32)14-15-33/h3-4,7-8,16,33H,2,5-6,9-15,17H2,1H3,(H2,25,26,27,28)
InChIKeyNVNJMPRRWFYMAS-UHFFFAOYSA-N
XLogP1.51
TPSA128.36 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.58
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

CID 11517444
CID 11517444
CID 11524934
CID 11524934
CID 11530692
CID 11530692
CID 11553619
CID 11553619
CID 11711534
CID 11711534
CID 11712415
CID 11712415
CID 44589650
CID 44589650
CID 44589684
CID 44589684
CID 44589720
CID 44589720
CID 44589721
CID 44589721
CID 44589760
CID 44589760
CID 44589761
CID 44589761

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol (CID 11532851) is 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol is CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(CCO)CC2)o1.
What is the InChIKey of 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is NVNJMPRRWFYMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N9O2/c1-2-6-25-21-19(16-27-23(28-21)26-9-5-18-3-7-24-8-4-18)22-30-29-20(34-22)17-32-12-10-31(11-13-32)14-15-33/h3-4,7-8,16,33H,2,5-6,9-15,17H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 467.58 g/mol, XLogP of 1.51, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 11532851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).