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

C21H21N7O — CID 123947365

IUPAC5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C(CC3CC3)c3ccc(-c4cnc(N)nc4)cc3)no2)cn1
InChIInChI=1S/C21H21N7O/c1-28-12-17(11-25-28)20-26-19(27-29-20)18(8-13-2-3-13)15-6-4-14(5-7-15)16-9-23-21(22)24-10-16/h4-7,9-13,18H,2-3,8H2,1H3,(H2,22,23,24)
InChIKeyJKGHZFQQRWZEOW-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.44
Rot. Bonds6

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

5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine (PubChem CID 123947365) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
PubChem CID123947365
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C(CC3CC3)c3ccc(-c4cnc(N)nc4)cc3)no2)cn1
InChIInChI=1S/C21H21N7O/c1-28-12-17(11-25-28)20-26-19(27-29-20)18(8-13-2-3-13)15-6-4-14(5-7-15)16-9-23-21(22)24-10-16/h4-7,9-13,18H,2-3,8H2,1H3,(H2,22,23,24)
InChIKeyJKGHZFQQRWZEOW-UHFFFAOYSA-N
XLogP3.44
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[3-[[4-(2-aminopyrimidin-5-yl)phenyl]-cyclopropylmethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide
CID 77448446
1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325190
5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848510
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633935
5-[5-[(2R)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952953
5-[5-[(2S)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952958
3-[1-cyclopropyl-1-[6-[2-(2,5-dimethylpyrrol-1-yl)pyrimidin-5-yl]-3-pyridinyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;methane
CID 158232661
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 66780354
3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 154880816
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703574
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
4-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703850

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine (CID 123947365) is 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine is Cn1cc(-c2nc(C(CC3CC3)c3ccc(-c4cnc(N)nc4)cc3)no2)cn1.
What is the InChIKey of 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
The InChIKey is JKGHZFQQRWZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-28-12-17(11-25-28)20-26-19(27-29-20)18(8-13-2-3-13)15-6-4-14(5-7-15)16-9-23-21(22)24-10-16/h4-7,9-13,18H,2-3,8H2,1H3,(H2,22,23,24).
What are the key properties of 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine has a molecular weight of 387.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 123947365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).