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

C19H17N7O — CID 56849238

IUPAC5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1
InChIInChI=1S/C19H17N7O/c1-26-11-14(10-23-26)16-24-17(25-27-16)19(6-7-19)15-4-2-12(3-5-15)13-8-21-18(20)22-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,22)
InChIKeyQUMBJVLZNXZUMW-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.59
Rot. Bonds4

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

5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine (PubChem CID 56849238) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine
PubChem CID56849238
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1
InChIInChI=1S/C19H17N7O/c1-26-11-14(10-23-26)16-24-17(25-27-16)19(6-7-19)15-4-2-12(3-5-15)13-8-21-18(20)22-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,22)
InChIKeyQUMBJVLZNXZUMW-UHFFFAOYSA-N
XLogP2.59
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine (CID 56849238) is 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine is Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1.
What is the InChIKey of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine?
The InChIKey is QUMBJVLZNXZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-26-11-14(10-23-26)16-24-17(25-27-16)19(6-7-19)15-4-2-12(3-5-15)13-8-21-18(20)22-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,22).
What are the key properties of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine?
5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56849238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).