2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol

C18H21N5O2 — CID 136818910

IUPAC2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol
SMILESCc1cc(N[C@H](C)c2nnc(C(C)C)o2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H21N5O2/c1-10(2)17-22-23-18(25-17)12(4)20-15-9-11(3)19-16(21-15)13-7-5-6-8-14(13)24/h5-10,12,24H,1-4H3,(H,19,20,21)/t12-/m1/s1
InChIKeyAPQFPDDNJAYZJZ-GFCCVEGCSA-N
MW339.40 g/mol
LogP3.84
Rot. Bonds5

About 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol

2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol (PubChem CID 136818910) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol
PubChem CID136818910
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol
SMILESCc1cc(N[C@H](C)c2nnc(C(C)C)o2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H21N5O2/c1-10(2)17-22-23-18(25-17)12(4)20-15-9-11(3)19-16(21-15)13-7-5-6-8-14(13)24/h5-10,12,24H,1-4H3,(H,19,20,21)/t12-/m1/s1
InChIKeyAPQFPDDNJAYZJZ-GFCCVEGCSA-N
XLogP3.84
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol (CID 136818910) is 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol is Cc1cc(N[C@H](C)c2nnc(C(C)C)o2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol?
The InChIKey is APQFPDDNJAYZJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10(2)17-22-23-18(25-17)12(4)20-15-9-11(3)19-16(21-15)13-7-5-6-8-14(13)24/h5-10,12,24H,1-4H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol?
2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol has a molecular weight of 339.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136818910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).