5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine

C19H18N8O — CID 66828295

IUPAC5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)cn1
InChIInChI=1S/C19H18N8O/c1-27-11-14(10-24-27)16-25-17(26-28-16)19(5-2-6-19)15-4-3-12(7-21-15)13-8-22-18(20)23-9-13/h3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23)
InChIKeyNCKPUAHDRNNIHZ-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.37
Rot. Bonds4

About 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine

5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 66828295) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID66828295
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)cn1
InChIInChI=1S/C19H18N8O/c1-27-11-14(10-24-27)16-25-17(26-28-16)19(5-2-6-19)15-4-3-12(7-21-15)13-8-22-18(20)23-9-13/h3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23)
InChIKeyNCKPUAHDRNNIHZ-UHFFFAOYSA-N
XLogP2.37
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

BI 665915
CID 66764813
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide
CID 56848995
1-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]pyrazole-4-Carboxamide
CID 126480572
3-[4-[3-[1-[4-(2-Aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propanenitrile
CID 137647618
5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
CID 56837376
1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 56838673
5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
CID 56838888
2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[2-(methylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 56839757
5-[4-[1-[5-[1-(Oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848512
5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848769
5-[4-[1-[5-(1-Methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine
CID 56849238
5-[5-[1-[5-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944231

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine (CID 66828295) is 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine is Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)cn1.
What is the InChIKey of 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is NCKPUAHDRNNIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-27-11-14(10-24-27)16-25-17(26-28-16)19(5-2-6-19)15-4-3-12(7-21-15)13-8-22-18(20)23-9-13/h3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23).
What are the key properties of 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).