(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

C14H18N6O3 — CID 171359869

IUPAC(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)ncn1
InChIInChI=1S/C14H18N6O3/c1-9-17-13(23-18-9)11-7-20(5-4-19(11)2)14(21)10-6-12(22-3)16-8-15-10/h6,8,11H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyFNSUEJZBXNAKJZ-NSHDSACASA-N
MW318.34 g/mol
LogP0.31
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 171359869) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID171359869
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)ncn1
InChIInChI=1S/C14H18N6O3/c1-9-17-13(23-18-9)11-7-20(5-4-19(11)2)14(21)10-6-12(22-3)16-8-15-10/h6,8,11H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyFNSUEJZBXNAKJZ-NSHDSACASA-N
XLogP0.31
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

5-[1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 53579560
3-Cyclopropyl-5-[1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53593164
[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 53611606
5-[1-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 53612682
N-(isoxazol-3-yl)-6-methoxypyrimidine-4-carboxamide
CID 91628542
6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide
CID 91628565
(4,4-Dimethyloxazolidin-3-yl)(6-methoxypyrimidin-4-yl)methanone
CID 91628566
(2,6-Dimethoxypyrimidin-4-yl)-morpholin-4-ylmethanone
CID 3286661
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole
CID 128792384
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
5-(5-Fluoro-6-methoxypyrimidin-4-yl)-3-methyl-1,2,4-oxadiazole
CID 169574652

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (CID 171359869) is (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is FNSUEJZBXNAKJZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O3/c1-9-17-13(23-18-9)11-7-20(5-4-19(11)2)14(21)10-6-12(22-3)16-8-15-10/h6,8,11H,4-5,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 318.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171359869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).