N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

C17H20N6O — CID 50983555

IUPACN,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2noc(C(C)C)n2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H20N6O/c1-11(2)17-20-14(22-24-17)10-23(4)15-8-12(3)19-16(21-15)13-6-5-7-18-9-13/h5-9,11H,10H2,1-4H3
InChIKeyPOONUDNBGMWZDJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.99
Rot. Bonds5

About N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50983555) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50983555
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2noc(C(C)C)n2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H20N6O/c1-11(2)17-20-14(22-24-17)10-23(4)15-8-12(3)19-16(21-15)13-6-5-7-18-9-13/h5-9,11H,10H2,1-4H3
InChIKeyPOONUDNBGMWZDJ-UHFFFAOYSA-N
XLogP2.99
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 50983555) is N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(N(C)Cc2noc(C(C)C)n2)nc(-c2cccnc2)n1.
What is the InChIKey of N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is POONUDNBGMWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11(2)17-20-14(22-24-17)10-23(4)15-8-12(3)19-16(21-15)13-6-5-7-18-9-13/h5-9,11H,10H2,1-4H3.
What are the key properties of N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50983555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).