N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide

C14H20N6O2 — CID 99840136

IUPACN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nc(N(C)C)no2)c(C(C)C)n1
InChIInChI=1S/C14H20N6O2/c1-8(2)12-10(6-15-9(3)17-12)13(21)16-7-11-18-14(19-22-11)20(4)5/h6,8H,7H2,1-5H3,(H,16,21)
InChIKeyICLZCBUGMNBCNW-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds5

About N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide

N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 99840136) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID99840136
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nc(N(C)C)no2)c(C(C)C)n1
InChIInChI=1S/C14H20N6O2/c1-8(2)12-10(6-15-9(3)17-12)13(21)16-7-11-18-14(19-22-11)20(4)5/h6,8H,7H2,1-5H3,(H,16,21)
InChIKeyICLZCBUGMNBCNW-UHFFFAOYSA-N
XLogP1.29
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide (CID 99840136) is N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2nc(N(C)C)no2)c(C(C)C)n1.
What is the InChIKey of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is ICLZCBUGMNBCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-8(2)12-10(6-15-9(3)17-12)13(21)16-7-11-18-14(19-22-11)20(4)5/h6,8H,7H2,1-5H3,(H,16,21).
What are the key properties of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 99840136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).