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

C19H18N8O — CID 66828376

IUPAC5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIInChI=1S/C19H18N8O/c1-27-15(5-8-24-27)16-25-17(26-28-16)19(6-2-7-19)13-3-4-14(21-11-13)12-9-22-18(20)23-10-12/h3-5,8-11H,2,6-7H2,1H3,(H2,20,22,23)
InChIKeyMLICALZTYOMBSK-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.37
Rot. Bonds4

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

5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828376) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828376
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIInChI=1S/C19H18N8O/c1-27-15(5-8-24-27)16-25-17(26-28-16)19(6-2-7-19)13-3-4-14(21-11-13)12-9-22-18(20)23-10-12/h3-5,8-11H,2,6-7H2,1H3,(H2,20,22,23)
InChIKeyMLICALZTYOMBSK-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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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828376) is 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1.
What is the InChIKey of 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is MLICALZTYOMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-27-15(5-8-24-27)16-25-17(26-28-16)19(6-2-7-19)13-3-4-14(21-11-13)12-9-22-18(20)23-10-12/h3-5,8-11H,2,6-7H2,1H3,(H2,20,22,23).
What are the key properties of 5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-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-[5-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).