N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C17H23N7O — CID 46998136

IUPACN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(N(C)Cc2noc(C(C)C)n2)n1
InChIInChI=1S/C17H23N7O/c1-10(2)16-20-14(22-25-16)9-23(5)17-18-8-7-13(19-17)15-11(3)21-24(6)12(15)4/h7-8,10H,9H2,1-6H3
InChIKeyMJSVVAGBVZXCIS-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46998136) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46998136
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(N(C)Cc2noc(C(C)C)n2)n1
InChIInChI=1S/C17H23N7O/c1-10(2)16-20-14(22-25-16)9-23(5)17-18-8-7-13(19-17)15-11(3)21-24(6)12(15)4/h7-8,10H,9H2,1-6H3
InChIKeyMJSVVAGBVZXCIS-UHFFFAOYSA-N
XLogP2.64
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46998136) is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2noc(C(C)C)n2)n1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is MJSVVAGBVZXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)16-20-14(22-25-16)9-23(5)17-18-8-7-13(19-17)15-11(3)21-24(6)12(15)4/h7-8,10H,9H2,1-6H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46998136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).