5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C21H21N7O — CID 56848510

IUPAC5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)ccc1C1(c2noc(-c3cnn(C)c3)n2)CCC1
InChIInChI=1S/C21H21N7O/c1-13-8-14(15-9-23-20(22)24-10-15)4-5-17(13)21(6-3-7-21)19-26-18(29-27-19)16-11-25-28(2)12-16/h4-5,8-12H,3,6-7H2,1-2H3,(H2,22,23,24)
InChIKeyLGTXXBOUHJMKIV-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.29
Rot. Bonds4

About 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 56848510) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID56848510
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)ccc1C1(c2noc(-c3cnn(C)c3)n2)CCC1
InChIInChI=1S/C21H21N7O/c1-13-8-14(15-9-23-20(22)24-10-15)4-5-17(13)21(6-3-7-21)19-26-18(29-27-19)16-11-25-28(2)12-16/h4-5,8-12H,3,6-7H2,1-2H3,(H2,22,23,24)
InChIKeyLGTXXBOUHJMKIV-UHFFFAOYSA-N
XLogP3.29
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 56848510) is 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is Cc1cc(-c2cnc(N)nc2)ccc1C1(c2noc(-c3cnn(C)c3)n2)CCC1.
What is the InChIKey of 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is LGTXXBOUHJMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-8-14(15-9-23-20(22)24-10-15)4-5-17(13)21(6-3-7-21)19-26-18(29-27-19)16-11-25-28(2)12-16/h4-5,8-12H,3,6-7H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 387.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56848510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).